[3-(propan-2-ylamino)thian-3-yl]methanol

C9H19NOS — CID 62872201

IUPAC[3-(propan-2-ylamino)thian-3-yl]methanol
SMILESCC(C)NC1(CO)CCCSC1
InChIInChI=1S/C9H19NOS/c1-8(2)10-9(6-11)4-3-5-12-7-9/h8,10-11H,3-7H2,1-2H3
InChIKeySRHVMVVJPXBKAG-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds3

About [3-(propan-2-ylamino)thian-3-yl]methanol

[3-(propan-2-ylamino)thian-3-yl]methanol (PubChem CID 62872201) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is [3-(propan-2-ylamino)thian-3-yl]methanol.

Molecular Properties

Compound Name[3-(propan-2-ylamino)thian-3-yl]methanol
PubChem CID62872201
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name[3-(propan-2-ylamino)thian-3-yl]methanol
SMILESCC(C)NC1(CO)CCCSC1
InChIInChI=1S/C9H19NOS/c1-8(2)10-9(6-11)4-3-5-12-7-9/h8,10-11H,3-7H2,1-2H3
InChIKeySRHVMVVJPXBKAG-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(propan-2-ylamino)thian-3-yl]methanol?
The IUPAC name of [3-(propan-2-ylamino)thian-3-yl]methanol (CID 62872201) is [3-(propan-2-ylamino)thian-3-yl]methanol.
What is the SMILES notation for [3-(propan-2-ylamino)thian-3-yl]methanol?
The canonical SMILES for [3-(propan-2-ylamino)thian-3-yl]methanol is CC(C)NC1(CO)CCCSC1.
What is the InChIKey of [3-(propan-2-ylamino)thian-3-yl]methanol?
The InChIKey is SRHVMVVJPXBKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)10-9(6-11)4-3-5-12-7-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of [3-(propan-2-ylamino)thian-3-yl]methanol?
[3-(propan-2-ylamino)thian-3-yl]methanol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propan-2-ylamino)thian-3-yl]methanol is sourced from PubChem (CID 62872201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).