3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol

C10H21NOS — CID 66104136

IUPAC3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSC1CCCC(N)C1
InChIInChI=1S/C10H21NOS/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h8-10,12H,2-7,11H2,1H3
InChIKeyWQNMWPHHULAGNV-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.62
Rot. Bonds4

About 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol

3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 66104136) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol
PubChem CID66104136
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSC1CCCC(N)C1
InChIInChI=1S/C10H21NOS/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h8-10,12H,2-7,11H2,1H3
InChIKeyWQNMWPHHULAGNV-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[3-(propylamino)cyclohexyl]sulfanylpropan-1-ol
CID 66104134
3-(2-methylpropylsulfanyl)cyclopentan-1-amine
CID 64722454
1-(2-methylbutylsulfanyl)-3-propylcyclohexane
CID 137410495
3-methylsulfanylcyclohexan-1-amine
CID 54594178
3-(2-amino-5-propylcyclohexyl)sulfanyl-2-methylpropan-1-ol
CID 66103925
3-(3-aminocyclohexyl)sulfanylpropanoic acid
CID 163221540
3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
CID 79683415
3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol
CID 79852757
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636028
3-(cyclopropylmethylsulfanyl)-2-methylpropan-1-ol
CID 66104453
2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
CID 79902946
ethyl 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79633506

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol (CID 66104136) is 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol is CC(CO)CSC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is WQNMWPHHULAGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol?
3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66104136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).