N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide

C13H28N2O2S — CID 79122875

IUPACN-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)CCC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-10-14-12-6-8-13(9-7-12)15(3)18(16,17)11-5-2/h12-14H,4-11H2,1-3H3
InChIKeySQEGIYKSHLRTIB-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.97
Rot. Bonds7

About N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide

N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide (PubChem CID 79122875) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
PubChem CID79122875
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)CCC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-10-14-12-6-8-13(9-7-12)15(3)18(16,17)11-5-2/h12-14H,4-11H2,1-3H3
InChIKeySQEGIYKSHLRTIB-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
CID 79123252
N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide
CID 79116725
N-cyclohexyl-N-methylpropane-1-sulfonamide
CID 60643282
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide
CID 79116727
2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide
CID 79122485
N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide
CID 79116728
N-[4-(ethylamino)cyclohexyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593829
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
2-amino-N-cyclopropyl-N-methylethanesulfonamide
CID 43264970
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide (CID 79122875) is N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide is CCCNC1CCC(N(C)S(=O)(=O)CCC)CC1.
What is the InChIKey of N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide?
The InChIKey is SQEGIYKSHLRTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-10-14-12-6-8-13(9-7-12)15(3)18(16,17)11-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide?
N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 79122875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).