N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride

C14H28ClN3O2S — CID 166150610

IUPACN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.Cl
InChIInChI=1S/C14H27N3O2S.ClH/c1-20(18,19)16-13-2-5-14(6-3-13)10-17(11-14)9-12-4-7-15-8-12;/h12-13,15-16H,2-11H2,1H3;1H/t12-;/m0./s1
InChIKeyVCXWKTFYMRVVRO-YDALLXLXSA-N
MW337.92 g/mol
LogP0.81
Rot. Bonds4

About N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride

N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride (PubChem CID 166150610) has the molecular formula C14H28ClN3O2S and a molecular weight of 337.92 g/mol. Its IUPAC name is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
PubChem CID166150610
Molecular FormulaC14H28ClN3O2S
Molecular Weight337.92 g/mol
Exact Mass337.16
IUPAC NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.Cl
InChIInChI=1S/C14H27N3O2S.ClH/c1-20(18,19)16-13-2-5-14(6-3-13)10-17(11-14)9-12-4-7-15-8-12;/h12-13,15-16H,2-11H2,1H3;1H/t12-;/m0./s1
InChIKeyVCXWKTFYMRVVRO-YDALLXLXSA-N
XLogP0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.92
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride (CID 166150610) is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.Cl.
What is the InChIKey of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride?
The InChIKey is VCXWKTFYMRVVRO-YDALLXLXSA-N. The full InChI is InChI=1S/C14H27N3O2S.ClH/c1-20(18,19)16-13-2-5-14(6-3-13)10-17(11-14)9-12-4-7-15-8-12;/h12-13,15-16H,2-11H2,1H3;1H/t12-;/m0./s1.
What are the key properties of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride?
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride has a molecular weight of 337.92 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 166150610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).