(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol

C9H19NO3S — CID 114987227

IUPAC(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-7(6-11)10-8-4-3-5-9(8)14(2,12)13/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeySOFHVIDGRMDOOY-AFPNSQJFSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds4

About (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol

(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol (PubChem CID 114987227) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
PubChem CID114987227
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-7(6-11)10-8-4-3-5-9(8)14(2,12)13/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeySOFHVIDGRMDOOY-AFPNSQJFSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(1R,2R)-2-methylsulfonylcyclopentyl]amino]propan-1-ol
CID 124596706
2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine
CID 115901322
2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol
CID 103914098
N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046268
N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046156
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967
2-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-1-ol
CID 86790070
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
2-[(2-cyclohexylcyclohexyl)amino]propan-1-ol
CID 43776368
4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
CID 75515768
N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044520

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol (CID 114987227) is (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol is C[C@H](CO)NC1CCCC1S(C)(=O)=O.
What is the InChIKey of (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol?
The InChIKey is SOFHVIDGRMDOOY-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7(6-11)10-8-4-3-5-9(8)14(2,12)13/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol?
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol is sourced from PubChem (CID 114987227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).