2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol

C13H27NO3S — CID 66178968

IUPAC2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-10(2)8-13(3,15)9-14-11-6-5-7-12(11)18(4,16)17/h10-12,14-15H,5-9H2,1-4H3
InChIKeyHXRLMOWBNKIYIE-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.34
Rot. Bonds6

About 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol

2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol (PubChem CID 66178968) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol
PubChem CID66178968
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-10(2)8-13(3,15)9-14-11-6-5-7-12(11)18(4,16)17/h10-12,14-15H,5-9H2,1-4H3
InChIKeyHXRLMOWBNKIYIE-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol
CID 66180147
2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 66178990
4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
CID 75515768
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine
CID 115920343
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
(2R)-2-[[(1R,2R)-2-methylsulfonylcyclopentyl]amino]propan-1-ol
CID 124596706
2-[(2-methylsulfonylcyclopentyl)amino]acetamide
CID 65046579
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
CID 114987227
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol
CID 66174660
2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 79540258

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol (CID 66178968) is 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol is CC(C)CC(C)(O)CNC1CCCC1S(C)(=O)=O.
What is the InChIKey of 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol?
The InChIKey is HXRLMOWBNKIYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-10(2)8-13(3,15)9-14-11-6-5-7-12(11)18(4,16)17/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol?
2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol has a molecular weight of 277.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol is sourced from PubChem (CID 66178968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).