[4-(propan-2-ylamino)thian-4-yl]methanol

C9H19NOS — CID 61337388

IUPAC[4-(propan-2-ylamino)thian-4-yl]methanol
SMILESCC(C)NC1(CO)CCSCC1
InChIInChI=1S/C9H19NOS/c1-8(2)10-9(7-11)3-5-12-6-4-9/h8,10-11H,3-7H2,1-2H3
InChIKeyAIKYCVZDCGYTLU-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds3

About [4-(propan-2-ylamino)thian-4-yl]methanol

[4-(propan-2-ylamino)thian-4-yl]methanol (PubChem CID 61337388) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is [4-(propan-2-ylamino)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(propan-2-ylamino)thian-4-yl]methanol
PubChem CID61337388
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name[4-(propan-2-ylamino)thian-4-yl]methanol
SMILESCC(C)NC1(CO)CCSCC1
InChIInChI=1S/C9H19NOS/c1-8(2)10-9(7-11)3-5-12-6-4-9/h8,10-11H,3-7H2,1-2H3
InChIKeyAIKYCVZDCGYTLU-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 [4-(propan-2-ylamino)thian-4-yl]methanol?
The IUPAC name of [4-(propan-2-ylamino)thian-4-yl]methanol (CID 61337388) is [4-(propan-2-ylamino)thian-4-yl]methanol.
What is the SMILES notation for [4-(propan-2-ylamino)thian-4-yl]methanol?
The canonical SMILES for [4-(propan-2-ylamino)thian-4-yl]methanol is CC(C)NC1(CO)CCSCC1.
What is the InChIKey of [4-(propan-2-ylamino)thian-4-yl]methanol?
The InChIKey is AIKYCVZDCGYTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)10-9(7-11)3-5-12-6-4-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of [4-(propan-2-ylamino)thian-4-yl]methanol?
[4-(propan-2-ylamino)thian-4-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 [4-(propan-2-ylamino)thian-4-yl]methanol is sourced from PubChem (CID 61337388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).