4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol

C12H25NO3S — CID 75515768

IUPAC4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
SMILESCC(C)C(O)CCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-9(2)11(14)7-8-13-10-5-4-6-12(10)17(3,15)16/h9-14H,4-8H2,1-3H3
InChIKeyYXYYEXWTJVOPOY-UHFFFAOYSA-N
MW263.40 g/mol
LogP0.95
Rot. Bonds6

About 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol

4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol (PubChem CID 75515768) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
PubChem CID75515768
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
SMILESCC(C)C(O)CCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-9(2)11(14)7-8-13-10-5-4-6-12(10)17(3,15)16/h9-14H,4-8H2,1-3H3
InChIKeyYXYYEXWTJVOPOY-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901335
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
CID 115901310
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
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
CID 114987227
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 65045793
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103082634

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol?
The IUPAC name of 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol (CID 75515768) is 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol.
What is the SMILES notation for 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol?
The canonical SMILES for 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol is CC(C)C(O)CCNC1CCCC1S(C)(=O)=O.
What is the InChIKey of 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol?
The InChIKey is YXYYEXWTJVOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-9(2)11(14)7-8-13-10-5-4-6-12(10)17(3,15)16/h9-14H,4-8H2,1-3H3.
What are the key properties of 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol?
4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol has a molecular weight of 263.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol is sourced from PubChem (CID 75515768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).