N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide

C15H25N5O2S — CID 94639342

IUPACN-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)N1CCCCCC1
InChIInChI=1S/C15H25N5O2S/c21-23(22,20-11-3-1-2-4-12-20)18-14-7-5-10-19(13-14)15-16-8-6-9-17-15/h6,8-9,14,18H,1-5,7,10-13H2/t14-/m0/s1
InChIKeyNGESTXOKTWQQKF-AWEZNQCLSA-N
MW339.47 g/mol
LogP1.16
Rot. Bonds4

About N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide

N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide (PubChem CID 94639342) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
PubChem CID94639342
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)N1CCCCCC1
InChIInChI=1S/C15H25N5O2S/c21-23(22,20-11-3-1-2-4-12-20)18-14-7-5-10-19(13-14)15-16-8-6-9-17-15/h6,8-9,14,18H,1-5,7,10-13H2/t14-/m0/s1
InChIKeyNGESTXOKTWQQKF-AWEZNQCLSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid
CID 43715625
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
CID 61275954
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94185832
3-chloro-4-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 47065171
5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide
CID 55914805
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131895476

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide?
The IUPAC name of N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide (CID 94639342) is N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide?
The canonical SMILES for N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide is O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)N1CCCCCC1.
What is the InChIKey of N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide?
The InChIKey is NGESTXOKTWQQKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N5O2S/c21-23(22,20-11-3-1-2-4-12-20)18-14-7-5-10-19(13-14)15-16-8-6-9-17-15/h6,8-9,14,18H,1-5,7,10-13H2/t14-/m0/s1.
What are the key properties of N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide?
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide is sourced from PubChem (CID 94639342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).