4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide

C15H29N3O3S — CID 146393563

IUPAC4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-12(2)13-4-6-14(7-5-13)16-15(19)17-8-10-18(11-9-17)22(3,20)21/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyAJUZXQNVMYLDPM-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.49
Rot. Bonds3

About 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide

4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide (PubChem CID 146393563) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
PubChem CID146393563
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-12(2)13-4-6-14(7-5-13)16-15(19)17-8-10-18(11-9-17)22(3,20)21/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyAJUZXQNVMYLDPM-UHFFFAOYSA-N
XLogP1.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 168727019
N-(4-butylcyclohexyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 47769316
N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95949202
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 51073855
4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
CID 55218893
(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168195
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94125453
(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide
CID 94030377
4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-carboxamide
CID 63338975
2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide
CID 153459202

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide (CID 146393563) is 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide is CC(C)C1CCC(NC(=O)N2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide?
The InChIKey is AJUZXQNVMYLDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-12(2)13-4-6-14(7-5-13)16-15(19)17-8-10-18(11-9-17)22(3,20)21/h12-14H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide?
4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 146393563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).