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

C9H19NOS — CID 102733502

IUPACtrans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
SMILESCSCCCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NOS/c1-12-7-3-6-10-8-4-2-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyIULZINIUCUKSOZ-RKDXNWHRSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds5

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

trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol (PubChem CID 102733502) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
PubChem CID102733502
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Nametrans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
SMILESCSCCCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NOS/c1-12-7-3-6-10-8-4-2-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyIULZINIUCUKSOZ-RKDXNWHRSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704
2-methyl-N-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 63278127
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
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-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
CID 102733144
2-(nonylamino)cyclohexan-1-ol
CID 62360571
trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol
CID 106310200

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol (CID 102733502) is trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol is CSCCCN[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol?
The InChIKey is IULZINIUCUKSOZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NOS/c1-12-7-3-6-10-8-4-2-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).