1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol

C15H29NOS — CID 114123365

IUPAC1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol
SMILESCSC1CCC(NCC(O)CC2CCCC2)CC1
InChIInChI=1S/C15H29NOS/c1-18-15-8-6-13(7-9-15)16-11-14(17)10-12-4-2-3-5-12/h12-17H,2-11H2,1H3
InChIKeyNLQWMUGMKMRLJW-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.19
Rot. Bonds6

About 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol

1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol (PubChem CID 114123365) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol
PubChem CID114123365
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol
SMILESCSC1CCC(NCC(O)CC2CCCC2)CC1
InChIInChI=1S/C15H29NOS/c1-18-15-8-6-13(7-9-15)16-11-14(17)10-12-4-2-3-5-12/h12-17H,2-11H2,1H3
InChIKeyNLQWMUGMKMRLJW-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol
CID 106160676
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
1-cyclopentyl-4-methylsulfanylbutan-2-ol
CID 65148807
1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol
CID 115477144
1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 106360589
3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
CID 103157965
1-(cyclobutylamino)butan-2-ol
CID 62416322
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
N-(3-cyclohexyl-2-methylpropyl)cyclobutanamine
CID 114899134
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
CID 103158372

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol (CID 114123365) is 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol is CSC1CCC(NCC(O)CC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol?
The InChIKey is NLQWMUGMKMRLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-18-15-8-6-13(7-9-15)16-11-14(17)10-12-4-2-3-5-12/h12-17H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol?
1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol has a molecular weight of 271.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 114123365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).