N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide

C15H30N2O3S — CID 63869838

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
SMILESNC1CCC(OCCCNS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H30N2O3S/c16-13-7-9-14(10-8-13)20-12-4-11-17-21(18,19)15-5-2-1-3-6-15/h13-15,17H,1-12,16H2
InChIKeySEQXLKUWDPQRJO-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.92
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide

N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide (PubChem CID 63869838) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
PubChem CID63869838
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
SMILESNC1CCC(OCCCNS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H30N2O3S/c16-13-7-9-14(10-8-13)20-12-4-11-17-21(18,19)15-5-2-1-3-6-15/h13-15,17H,1-12,16H2
InChIKeySEQXLKUWDPQRJO-UHFFFAOYSA-N
XLogP1.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide (CID 63869838) is N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide is NC1CCC(OCCCNS(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide?
The InChIKey is SEQXLKUWDPQRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c16-13-7-9-14(10-8-13)20-12-4-11-17-21(18,19)15-5-2-1-3-6-15/h13-15,17H,1-12,16H2.
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide?
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide is sourced from PubChem (CID 63869838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).