(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane

C16H28N2O3S — CID 124814820

IUPAC(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@H](COCC2CC2)[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C16H28N2O3S/c1-17-8-14(10-21-9-13-2-3-13)16(11-17)6-7-18(12-16)22(19,20)15-4-5-15/h13-15H,2-12H2,1H3/t14-,16+/m1/s1
InChIKeyXKAHOXLMTAMVLL-ZBFHGGJFSA-N
MW328.48 g/mol
LogP1.16
Rot. Bonds6

About (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane

(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane (PubChem CID 124814820) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane
PubChem CID124814820
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@H](COCC2CC2)[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C16H28N2O3S/c1-17-8-14(10-21-9-13-2-3-13)16(11-17)6-7-18(12-16)22(19,20)15-4-5-15/h13-15H,2-12H2,1H3/t14-,16+/m1/s1
InChIKeyXKAHOXLMTAMVLL-ZBFHGGJFSA-N
XLogP1.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane with MolForge

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Related Compounds

1-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 131678283
[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97478003
[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone
CID 124819418
6-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-N,N-dimethylpyrimidin-4-amine
CID 131652378
6-[(4R)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-N,N-dimethylpyrimidin-4-amine
CID 124813844
[(5R,9S)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681789
3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131642473
[(5R,9S)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155865861
(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155843349
(5R,9R)-9-(cyclopropylmethoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155832501
(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-6-cyclopropylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98816458
(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
CID 97476059

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane (CID 124814820) is (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane is CN1C[C@H](COCC2CC2)[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1.
What is the InChIKey of (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is XKAHOXLMTAMVLL-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-17-8-14(10-21-9-13-2-3-13)16(11-17)6-7-18(12-16)22(19,20)15-4-5-15/h13-15H,2-12H2,1H3/t14-,16+/m1/s1.
What are the key properties of (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane?
(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 328.48 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 124814820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).