1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane

C15H28N2O3S — CID 131650501

IUPAC1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCOCC1CCC2(CCN(S(C)(=O)=O)CC2)N1CC1CC1
InChIInChI=1S/C15H28N2O3S/c1-20-12-14-5-6-15(17(14)11-13-3-4-13)7-9-16(10-8-15)21(2,18)19/h13-14H,3-12H2,1-2H3
InChIKeyUXLRKJRMJVLSCU-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.30
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane

1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane (PubChem CID 131650501) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane
PubChem CID131650501
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCOCC1CCC2(CCN(S(C)(=O)=O)CC2)N1CC1CC1
InChIInChI=1S/C15H28N2O3S/c1-20-12-14-5-6-15(17(14)11-13-3-4-13)7-9-16(10-8-15)21(2,18)19/h13-14H,3-12H2,1-2H3
InChIKeyUXLRKJRMJVLSCU-UHFFFAOYSA-N
XLogP1.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone
CID 97477211
[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171693943
1-[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 155830102
(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97476438
3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131642473
2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 131652945
(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
[(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97476128
4-(cyclopropylmethyl)-1-methyl-9-methylsulfonyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495768
5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane
CID 131650714
(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
CID 97476059
[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
CID 131688880

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane (CID 131650501) is 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane is COCC1CCC2(CCN(S(C)(=O)=O)CC2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The InChIKey is UXLRKJRMJVLSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-20-12-14-5-6-15(17(14)11-13-3-4-13)7-9-16(10-8-15)21(2,18)19/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane?
1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane has a molecular weight of 316.47 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131650501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).