N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide

C14H27N3O3S — CID 167978802

IUPACN-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide
SMILESCC1CN(C)CCN1C(=O)C1(NS(C)(=O)=O)CCCCC1
InChIInChI=1S/C14H27N3O3S/c1-12-11-16(2)9-10-17(12)13(18)14(15-21(3,19)20)7-5-4-6-8-14/h12,15H,4-11H2,1-3H3
InChIKeyHCHKFSYBAFKXHM-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.40
Rot. Bonds3

About N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide

N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide (PubChem CID 167978802) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide
PubChem CID167978802
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide
SMILESCC1CN(C)CCN1C(=O)C1(NS(C)(=O)=O)CCCCC1
InChIInChI=1S/C14H27N3O3S/c1-12-11-16(2)9-10-17(12)13(18)14(15-21(3,19)20)7-5-4-6-8-14/h12,15H,4-11H2,1-3H3
InChIKeyHCHKFSYBAFKXHM-UHFFFAOYSA-N
XLogP0.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide
CID 94824911
(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane
CID 177202749
(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114085692
(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone
CID 177202718
1-(methanesulfonamido)cyclohexane-1-carboxamide
CID 47410821
ethane;N,2,4-trimethylpiperazine-1-carboxamide
CID 144801941
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 114086567
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 11573082
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone
CID 103814597

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide (CID 167978802) is N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide is CC1CN(C)CCN1C(=O)C1(NS(C)(=O)=O)CCCCC1.
What is the InChIKey of N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide?
The InChIKey is HCHKFSYBAFKXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-12-11-16(2)9-10-17(12)13(18)14(15-21(3,19)20)7-5-4-6-8-14/h12,15H,4-11H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide?
N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 167978802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).