3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol

C10H21NOS — CID 111449593

IUPAC3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)NC1CCCC1
InChIInChI=1S/C10H21NOS/c1-13-8-10(6-7-12)11-9-4-2-3-5-9/h9-12H,2-8H2,1H3
InChIKeyFNNQDMAZNAXJNN-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds6

About 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol

3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol (PubChem CID 111449593) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol
PubChem CID111449593
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)NC1CCCC1
InChIInChI=1S/C10H21NOS/c1-13-8-10(6-7-12)11-9-4-2-3-5-9/h9-12H,2-8H2,1H3
InChIKeyFNNQDMAZNAXJNN-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
CID 64806225
3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol
CID 115723242
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
3-(cyclopropylamino)pentan-1-ol
CID 83815190
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine
CID 115721778
3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol
CID 110012282
3-(cyclopropylamino)-5-methylhexan-1-ol
CID 112708679
2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
(3S)-4-methylsulfanyl-3-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]butan-1-ol
CID 99837606
2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol
CID 116504832

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol (CID 111449593) is 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol is CSCC(CCO)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol?
The InChIKey is FNNQDMAZNAXJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-13-8-10(6-7-12)11-9-4-2-3-5-9/h9-12H,2-8H2,1H3.
What are the key properties of 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol?
3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 111449593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).