[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol

C13H27NOS — CID 79646598

IUPAC[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCC(C)SC1CCC(CO)(NC(C)C)C1
InChIInChI=1S/C13H27NOS/c1-5-11(4)16-12-6-7-13(8-12,9-15)14-10(2)3/h10-12,14-15H,5-9H2,1-4H3
InChIKeyNMZPDBKMJYYSAP-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.80
Rot. Bonds6

About [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol

[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79646598) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79646598
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCC(C)SC1CCC(CO)(NC(C)C)C1
InChIInChI=1S/C13H27NOS/c1-5-11(4)16-12-6-7-13(8-12,9-15)14-10(2)3/h10-12,14-15H,5-9H2,1-4H3
InChIKeyNMZPDBKMJYYSAP-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640132
[1-(methylamino)-3-propan-2-ylsulfanylcyclopentyl]methanol
CID 79645826
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362
[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645559
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
CID 107764767
[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646579
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
[3-[cyclopropylmethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656704
[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754508
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417
[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468

Frequently Asked Questions

What is the IUPAC name of [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79646598) is [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol is CCC(C)SC1CCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is NMZPDBKMJYYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-5-11(4)16-12-6-7-13(8-12,9-15)14-10(2)3/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 245.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79646598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).