3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol

C11H23NOS — CID 99829767

IUPAC3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
SMILESCCS[C@H]1CCCC[C@H]1NCCCO
InChIInChI=1S/C11H23NOS/c1-2-14-11-7-4-3-6-10(11)12-8-5-9-13/h10-13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyBBIVOJFPMAIQHG-MNOVXSKESA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds6

About 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol

3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol (PubChem CID 99829767) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
PubChem CID99829767
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
SMILESCCS[C@H]1CCCC[C@H]1NCCCO
InChIInChI=1S/C11H23NOS/c1-2-14-11-7-4-3-6-10(11)12-8-5-9-13/h10-13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyBBIVOJFPMAIQHG-MNOVXSKESA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.02
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

N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide
CID 99790709
3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide
CID 124844755
3-[2-(methylamino)cyclooctyl]sulfanylpropan-1-ol
CID 66127306
cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine
CID 99829754
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611531
1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea
CID 103727711
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611
2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 115727024
4-[(2-ethylsulfanylcyclohexyl)carbamoylamino]butanoic acid
CID 122005456

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol?
The IUPAC name of 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol (CID 99829767) is 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol is CCS[C@H]1CCCC[C@H]1NCCCO.
What is the InChIKey of 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol?
The InChIKey is BBIVOJFPMAIQHG-MNOVXSKESA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-14-11-7-4-3-6-10(11)12-8-5-9-13/h10-13H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol?
3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 99829767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).