3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol

C14H25NOS — CID 64805508

IUPAC3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CSC1CCCC1)(NC1CC1)C1CC1
InChIInChI=1S/C14H25NOS/c16-9-14(11-5-6-11,15-12-7-8-12)10-17-13-3-1-2-4-13/h11-13,15-16H,1-10H2
InChIKeySVDJPWBHNFFWIB-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.56
Rot. Bonds7

About 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol

3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol (PubChem CID 64805508) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
PubChem CID64805508
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CSC1CCCC1)(NC1CC1)C1CC1
InChIInChI=1S/C14H25NOS/c16-9-14(11-5-6-11,15-12-7-8-12)10-17-13-3-1-2-4-13/h11-13,15-16H,1-10H2
InChIKeySVDJPWBHNFFWIB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798775
3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798444
2-cyclopropyl-2-(cyclopropylamino)-3-piperidin-1-ylpropan-1-ol
CID 64790851
2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64821955
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 115562636
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 64797554
5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64808099
methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate
CID 63115951
2-cyclopropyl-2-(cyclopropylamino)-3-propan-2-yloxypropan-1-ol
CID 64804667
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64805519
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64807338

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol (CID 64805508) is 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol is OCC(CSC1CCCC1)(NC1CC1)C1CC1.
What is the InChIKey of 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The InChIKey is SVDJPWBHNFFWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c16-9-14(11-5-6-11,15-12-7-8-12)10-17-13-3-1-2-4-13/h11-13,15-16H,1-10H2.
What are the key properties of 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol has a molecular weight of 255.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 64805508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).