2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

C16H26N4O2S — CID 131649452

IUPAC2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCCC3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1
InChIInChI=1S/C16H26N4O2S/c1-18-10-14(9-17-18)11-19-7-2-5-16(12-19)6-8-20(13-16)23(21,22)15-3-4-15/h9-10,15H,2-8,11-13H2,1H3
InChIKeyWJIWDQHJCXELJP-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.20
Rot. Bonds4

About 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 131649452) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID131649452
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCCC3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1
InChIInChI=1S/C16H26N4O2S/c1-18-10-14(9-17-18)11-19-7-2-5-16(12-19)6-8-20(13-16)23(21,22)15-3-4-15/h9-10,15H,2-8,11-13H2,1H3
InChIKeyWJIWDQHJCXELJP-UHFFFAOYSA-N
XLogP1.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155847570
4-[(2-cyclopropylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 131640043
2-(benzenesulfonyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 97392899
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482164
(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 97370808
2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369827
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118744483
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 131649452) is 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is Cn1cc(CN2CCCC3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1.
What is the InChIKey of 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is WJIWDQHJCXELJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-18-10-14(9-17-18)11-19-7-2-5-16(12-19)6-8-20(13-16)23(21,22)15-3-4-15/h9-10,15H,2-8,11-13H2,1H3.
What are the key properties of 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 338.48 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131649452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).