trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol

C9H19NOS — CID 102734063

IUPACtrans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol
SMILESCSC(C)CN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NOS/c1-7(12-2)6-10-8-4-3-5-9(8)11/h7-11H,3-6H2,1-2H3/t7?,8-,9-/m0/s1
InChIKeyGZFADACVDOYJDZ-NPPUSCPJSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds4

About trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol (PubChem CID 102734063) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol
PubChem CID102734063
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Nametrans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol
SMILESCSC(C)CN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NOS/c1-7(12-2)6-10-8-4-3-5-9(8)11/h7-11H,3-6H2,1-2H3/t7?,8-,9-/m0/s1
InChIKeyGZFADACVDOYJDZ-NPPUSCPJSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(3-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731720
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
CID 102905272
trans-(1S,2S)-2-(2-cyclopropylpropylamino)cyclopentan-1-ol
CID 102734076
trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731666
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
2-(2,2-dimethoxyethylamino)cyclohexan-1-ol
CID 63696910
trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
CID 102731693
trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol
CID 102731517
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 55141526
trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
CID 106115022

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol (CID 102734063) is trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol is CSC(C)CN[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol?
The InChIKey is GZFADACVDOYJDZ-NPPUSCPJSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(12-2)6-10-8-4-3-5-9(8)11/h7-11H,3-6H2,1-2H3/t7?,8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol is sourced from PubChem (CID 102734063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).