N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide

C19H28N4O2S — CID 95718153

IUPACN,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cn1C
InChIInChI=1S/C19H28N4O2S/c1-16-20-19(15-21(16)2)26(24,25)22(3)18-10-7-12-23(14-18)13-11-17-8-5-4-6-9-17/h4-6,8-9,15,18H,7,10-14H2,1-3H3/t18-/m1/s1
InChIKeyYBDORPNHLIVNCT-GOSISDBHSA-N
MW376.53 g/mol
LogP2.06
Rot. Bonds6

About N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide

N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide (PubChem CID 95718153) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide
PubChem CID95718153
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cn1C
InChIInChI=1S/C19H28N4O2S/c1-16-20-19(15-21(16)2)26(24,25)22(3)18-10-7-12-23(14-18)13-11-17-8-5-4-6-9-17/h4-6,8-9,15,18H,7,10-14H2,1-3H3/t18-/m1/s1
InChIKeyYBDORPNHLIVNCT-GOSISDBHSA-N
XLogP2.06
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide with MolForge

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Related Compounds

N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45183595
N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide
CID 131906052
5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol
CID 56882991
(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
CID 45169944
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 45229832
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
4-benzylsulfonyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 121022794
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide?
The IUPAC name of N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide (CID 95718153) is N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide.
What is the SMILES notation for N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide?
The canonical SMILES for N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cn1C.
What is the InChIKey of N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide?
The InChIKey is YBDORPNHLIVNCT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-16-20-19(15-21(16)2)26(24,25)22(3)18-10-7-12-23(14-18)13-11-17-8-5-4-6-9-17/h4-6,8-9,15,18H,7,10-14H2,1-3H3/t18-/m1/s1.
What are the key properties of N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide?
N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide has a molecular weight of 376.53 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 95718153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).