4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol

C13H27NOS — CID 64806341

IUPAC4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCSC1CCCC1
InChIInChI=1S/C13H27NOS/c1-11(2)14-13(3,10-15)8-9-16-12-6-4-5-7-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyUDRVRRLTSDWWMI-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.80
Rot. Bonds7

About 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64806341) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64806341
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCSC1CCCC1
InChIInChI=1S/C13H27NOS/c1-11(2)14-13(3,10-15)8-9-16-12-6-4-5-7-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyUDRVRRLTSDWWMI-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64806341) is 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CO)CCSC1CCCC1.
What is the InChIKey of 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is UDRVRRLTSDWWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-11(2)14-13(3,10-15)8-9-16-12-6-4-5-7-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 245.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64806341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).