N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide

C14H29N3O2S — CID 94061348

IUPACN-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCN([C@@H](C)CNS(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-13-7-6-8-16(12-13)14(2)11-15-20(18,19)17-9-4-3-5-10-17/h13-15H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyLZKLYDWDGLULSD-KBPBESRZSA-N
MW303.47 g/mol
LogP1.43
Rot. Bonds5

About N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide

N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide (PubChem CID 94061348) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
PubChem CID94061348
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCN([C@@H](C)CNS(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-13-7-6-8-16(12-13)14(2)11-15-20(18,19)17-9-4-3-5-10-17/h13-15H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyLZKLYDWDGLULSD-KBPBESRZSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide
CID 94024918
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
CID 97352590
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47036190
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 98752850
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94099206

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide?
The IUPAC name of N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide (CID 94061348) is N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide is C[C@H]1CCCN([C@@H](C)CNS(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide?
The InChIKey is LZKLYDWDGLULSD-KBPBESRZSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-13-7-6-8-16(12-13)14(2)11-15-20(18,19)17-9-4-3-5-10-17/h13-15H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide?
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 94061348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).