trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol

C9H19NO3S — CID 93451298

IUPACtrans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
SMILESCS(=O)(=O)CCCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NO3S/c1-14(12,13)7-3-6-10-8-4-2-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyJZAANXWGPRBPAB-RKDXNWHRSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds5

About trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol (PubChem CID 93451298) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
PubChem CID93451298
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Nametrans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
SMILESCS(=O)(=O)CCCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NO3S/c1-14(12,13)7-3-6-10-8-4-2-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyJZAANXWGPRBPAB-RKDXNWHRSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
CID 61036604
trans-(1S,2S)-2-(3-methylsulfonylpropylamino)cyclohexan-1-ol
CID 93451135
2-(3-methylsulfonylpropylamino)cycloheptan-1-ol
CID 61020871
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
CID 102733144
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(3-ethoxypropylamino)cyclopentan-1-ol
CID 102733020
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol (CID 93451298) is trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol is CS(=O)(=O)CCCN[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol?
The InChIKey is JZAANXWGPRBPAB-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(12,13)7-3-6-10-8-4-2-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol is sourced from PubChem (CID 93451298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).