2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide

C11H19ClN4O2S — CID 124698341

IUPAC2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC[C@@H]2CCCNC2)nc1Cl
InChIInChI=1S/C11H19ClN4O2S/c1-16-8-10(15-11(16)12)19(17,18)14-6-4-9-3-2-5-13-7-9/h8-9,13-14H,2-7H2,1H3/t9-/m0/s1
InChIKeyAMUBYZSYLSTEOI-VIFPVBQESA-N
MW306.82 g/mol
LogP0.74
Rot. Bonds5

About 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide

2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide (PubChem CID 124698341) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide
PubChem CID124698341
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC[C@@H]2CCCNC2)nc1Cl
InChIInChI=1S/C11H19ClN4O2S/c1-16-8-10(15-11(16)12)19(17,18)14-6-4-9-3-2-5-13-7-9/h8-9,13-14H,2-7H2,1H3/t9-/m0/s1
InChIKeyAMUBYZSYLSTEOI-VIFPVBQESA-N
XLogP0.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 55249577
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119979396
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 103088990
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide
CID 62066613
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
3,5-dimethyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60895350

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide (CID 124698341) is 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC[C@@H]2CCCNC2)nc1Cl.
What is the InChIKey of 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide?
The InChIKey is AMUBYZSYLSTEOI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-16-8-10(15-11(16)12)19(17,18)14-6-4-9-3-2-5-13-7-9/h8-9,13-14H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide?
2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 124698341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).