N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide

C15H30N2O3S — CID 79116727

IUPACN-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-10-16-13-4-6-14(7-5-13)17(2)21(18,19)15-8-11-20-12-9-15/h13-16H,3-12H2,1-2H3
InChIKeyQPIORNPPRSWTBY-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.74
Rot. Bonds6

About N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide

N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide (PubChem CID 79116727) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide
PubChem CID79116727
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-10-16-13-4-6-14(7-5-13)17(2)21(18,19)15-8-11-20-12-9-15/h13-16H,3-12H2,1-2H3
InChIKeyQPIORNPPRSWTBY-UHFFFAOYSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
CID 79122875
N-propyloxan-4-amine
CID 18348908
1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
CID 79123252
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N-methyl-N-(4-methylcyclohexyl)cyclopropanesulfonamide
CID 58394512
N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide
CID 79116725
N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide
CID 79122716
N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide
CID 79116728
1-morpholin-4-ylsulfonyl-N-propylpiperidin-4-amine
CID 54923533
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide?
The IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide (CID 79116727) is N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide is CCCNC1CCC(N(C)S(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide?
The InChIKey is QPIORNPPRSWTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-10-16-13-4-6-14(7-5-13)17(2)21(18,19)15-8-11-20-12-9-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide?
N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide is sourced from PubChem (CID 79116727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).