N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen

C20H34N2O3S — CID 143174092

IUPACN-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen
SMILESCc1cccc(S(=O)(=O)N2CCCCC2)c1.O=CNC1CCCCCC1.[H][H]
InChIInChI=1S/C12H17NO2S.C8H15NO.H2/c1-11-6-5-7-12(10-11)16(14,15)13-8-3-2-4-9-13;10-7-9-8-5-3-1-2-4-6-8;/h5-7,10H,2-4,8-9H2,1H3;7-8H,1-6H2,(H,9,10);1H
InChIKeyPSPPZWLGBITOSB-UHFFFAOYSA-N
MW382.57 g/mol
LogP3.87
Rot. Bonds4

About N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen

N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen (PubChem CID 143174092) has the molecular formula C20H34N2O3S and a molecular weight of 382.57 g/mol. Its IUPAC name is N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen.

Molecular Properties

Compound NameN-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen
PubChem CID143174092
Molecular FormulaC20H34N2O3S
Molecular Weight382.57 g/mol
Exact Mass382.23
IUPAC NameN-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen
SMILESCc1cccc(S(=O)(=O)N2CCCCC2)c1.O=CNC1CCCCCC1.[H][H]
InChIInChI=1S/C12H17NO2S.C8H15NO.H2/c1-11-6-5-7-12(10-11)16(14,15)13-8-3-2-4-9-13;10-7-9-8-5-3-1-2-4-6-8;/h5-7,10H,2-4,8-9H2,1H3;7-8H,1-6H2,(H,9,10);1H
InChIKeyPSPPZWLGBITOSB-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
N-(3-piperidin-1-ylsulfonylphenyl)formamide
CID 168654481
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 110314101
cyclobutyl-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799404
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
N,N-dimethyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 110799696
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182

Frequently Asked Questions

What is the IUPAC name of N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen?
The IUPAC name of N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen (CID 143174092) is N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen.
What is the SMILES notation for N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen?
The canonical SMILES for N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen is Cc1cccc(S(=O)(=O)N2CCCCC2)c1.O=CNC1CCCCCC1.[H][H].
What is the InChIKey of N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen?
The InChIKey is PSPPZWLGBITOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S.C8H15NO.H2/c1-11-6-5-7-12(10-11)16(14,15)13-8-3-2-4-9-13;10-7-9-8-5-3-1-2-4-6-8;/h5-7,10H,2-4,8-9H2,1H3;7-8H,1-6H2,(H,9,10);1H.
What are the key properties of N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen?
N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen has a molecular weight of 382.57 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen is sourced from PubChem (CID 143174092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).