3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine

C14H29N3O2S — CID 61065292

IUPAC3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-13(11-15)12-16-7-9-17(10-8-16)20(18,19)14-5-3-2-4-6-14/h13-14H,2-12,15H2,1H3
InChIKeyMHPQBTACELWYBM-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.86
Rot. Bonds5

About 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine

3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine (PubChem CID 61065292) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
PubChem CID61065292
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-13(11-15)12-16-7-9-17(10-8-16)20(18,19)14-5-3-2-4-6-14/h13-14H,2-12,15H2,1H3
InChIKeyMHPQBTACELWYBM-UHFFFAOYSA-N
XLogP0.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine
CID 43252310
2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
CID 106722640
4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide
CID 114813812
2-methyl-3-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63244986
1-(2-bromoethyl)-4-cyclohexylsulfonylpiperazine
CID 80676966
1-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-2-cyclohexylethanone
CID 43252003
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide
CID 71997349
2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 77011980
2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine
CID 45496791
methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
CID 114461198
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107174530
3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 43252306

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine (CID 61065292) is 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine is CC(CN)CN1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The InChIKey is MHPQBTACELWYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-13(11-15)12-16-7-9-17(10-8-16)20(18,19)14-5-3-2-4-6-14/h13-14H,2-12,15H2,1H3.
What are the key properties of 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 61065292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).