N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide

C16H23N3O3S — CID 100728242

IUPACN-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESNS(=O)(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S/c17-23(21,22)11-12-6-8-19(9-7-12)16(20)18-15-10-14(15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,18,20)(H2,17,21,22)/t14-,15+/m0/s1
InChIKeyUZZTXKFINLBCST-LSDHHAIUSA-N
MW337.45 g/mol
LogP1.25
Rot. Bonds4

About N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide

N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 100728242) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
PubChem CID100728242
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESNS(=O)(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S/c17-23(21,22)11-12-6-8-19(9-7-12)16(20)18-15-10-14(15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,18,20)(H2,17,21,22)/t14-,15+/m0/s1
InChIKeyUZZTXKFINLBCST-LSDHHAIUSA-N
XLogP1.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
CID 23790831
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
CID 95196037
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
N-(3-methylcyclopentyl)-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119040378
N-[(1R,3R)-3-methylcyclopentyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 100727256
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119051482
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
CID 95588991
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide (CID 100728242) is N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide is NS(=O)(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is UZZTXKFINLBCST-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-23(21,22)11-12-6-8-19(9-7-12)16(20)18-15-10-14(15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,18,20)(H2,17,21,22)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 100728242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).