N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide

C15H31N3O2S — CID 43319478

IUPACN-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCCN)C2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-14-8-12-17(13-9-14)21(19,20)18(11-5-10-16)15-6-3-2-4-7-15/h14-15H,2-13,16H2,1H3
InChIKeyPETFNGMDUTUBNR-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.95
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide

N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide (PubChem CID 43319478) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
PubChem CID43319478
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCCN)C2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-14-8-12-17(13-9-14)21(19,20)18(11-5-10-16)15-6-3-2-4-7-15/h14-15H,2-13,16H2,1H3
InChIKeyPETFNGMDUTUBNR-UHFFFAOYSA-N
XLogP1.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide (CID 43319478) is N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(CCCN)C2CCCCC2)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide?
The InChIKey is PETFNGMDUTUBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-14-8-12-17(13-9-14)21(19,20)18(11-5-10-16)15-6-3-2-4-7-15/h14-15H,2-13,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43319478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).