1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride

C9H19ClN2O2S — CID 120716613

IUPAC1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CC1)N[C@H]1CCCNC1
InChIInChI=1S/C9H18N2O2S.ClH/c12-14(13,7-8-3-4-8)11-9-2-1-5-10-6-9;/h8-11H,1-7H2;1H/t9-;/m0./s1
InChIKeyHNTXCLXAKUEYBB-FVGYRXGTSA-N
MW254.78 g/mol
LogP0.49
Rot. Bonds4

About 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride

1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride (PubChem CID 120716613) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
PubChem CID120716613
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC Name1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CC1)N[C@H]1CCCNC1
InChIInChI=1S/C9H18N2O2S.ClH/c12-14(13,7-8-3-4-8)11-9-2-1-5-10-6-9;/h8-11H,1-7H2;1H/t9-;/m0./s1
InChIKeyHNTXCLXAKUEYBB-FVGYRXGTSA-N
XLogP0.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716775
N-cyclopentyl-1-pyrrolidin-3-ylmethanesulfonamide
CID 115039136
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
N-[(3R)-piperidin-3-yl]but-3-ene-1-sulfonamide;hydrochloride
CID 120723752
N-(oxan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 55190208
1-(azetidin-3-yl)-N-cyclohexylmethanesulfonamide
CID 115039138
2-methoxy-N-[(3R)-piperidin-3-yl]ethanesulfonamide
CID 104645644
N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
CID 82842865
1-cyclopropyl-N-(5-methylpiperidin-3-yl)methanesulfonamide
CID 107585329
N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54973935
(3R)-3-(dimethylsulfamoylamino)piperidine;hydrochloride
CID 120723788

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride (CID 120716613) is 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride is Cl.O=S(=O)(CC1CC1)N[C@H]1CCCNC1.
What is the InChIKey of 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The InChIKey is HNTXCLXAKUEYBB-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H18N2O2S.ClH/c12-14(13,7-8-3-4-8)11-9-2-1-5-10-6-9;/h8-11H,1-7H2;1H/t9-;/m0./s1.
What are the key properties of 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 254.78 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120716613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).