N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate

C19H27N2O4S- — CID 57371835

IUPACN-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate
SMILESO=C([O-])N(c1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCCC1
InChIInChI=1S/C19H28N2O4S/c22-19(23)21(16-8-4-1-2-5-9-16)17-10-12-18(13-11-17)26(24,25)20-14-6-3-7-15-20/h10-13,16H,1-9,14-15H2,(H,22,23)/p-1
InChIKeyNSWUZVLRELVFCI-UHFFFAOYSA-M
MW379.50 g/mol
LogP2.73
Rot. Bonds4

About N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate

N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate (PubChem CID 57371835) has the molecular formula C19H27N2O4S- and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate.

Molecular Properties

Compound NameN-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate
PubChem CID57371835
Molecular FormulaC19H27N2O4S-
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC NameN-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate
SMILESO=C([O-])N(c1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCCC1
InChIInChI=1S/C19H28N2O4S/c22-19(23)21(16-8-4-1-2-5-9-16)17-10-12-18(13-11-17)26(24,25)20-14-6-3-7-15-20/h10-13,16H,1-9,14-15H2,(H,22,23)/p-1
InChIKeyNSWUZVLRELVFCI-UHFFFAOYSA-M
XLogP2.73
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
CID 55334511
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-(cyclohexylmethyl)-N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60535288
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
trans-(1R,2R)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964051
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 51617060
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate?
The IUPAC name of N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate (CID 57371835) is N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate.
What is the SMILES notation for N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate?
The canonical SMILES for N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate is O=C([O-])N(c1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate?
The InChIKey is NSWUZVLRELVFCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H28N2O4S/c22-19(23)21(16-8-4-1-2-5-9-16)17-10-12-18(13-11-17)26(24,25)20-14-6-3-7-15-20/h10-13,16H,1-9,14-15H2,(H,22,23)/p-1.
What are the key properties of N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate?
N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate has a molecular weight of 379.50 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate is sourced from PubChem (CID 57371835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).