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

C10H21NOS — CID 62872202

IUPAC[3-(butan-2-ylamino)thian-3-yl]methanol
SMILESCCC(C)NC1(CO)CCCSC1
InChIInChI=1S/C10H21NOS/c1-3-9(2)11-10(7-12)5-4-6-13-8-10/h9,11-12H,3-8H2,1-2H3
InChIKeyQHAOKFHLUKSZKX-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds4

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

[3-(butan-2-ylamino)thian-3-yl]methanol (PubChem CID 62872202) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is [3-(butan-2-ylamino)thian-3-yl]methanol.

Molecular Properties

Compound Name[3-(butan-2-ylamino)thian-3-yl]methanol
PubChem CID62872202
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name[3-(butan-2-ylamino)thian-3-yl]methanol
SMILESCCC(C)NC1(CO)CCCSC1
InChIInChI=1S/C10H21NOS/c1-3-9(2)11-10(7-12)5-4-6-13-8-10/h9,11-12H,3-8H2,1-2H3
InChIKeyQHAOKFHLUKSZKX-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of [3-(butan-2-ylamino)thian-3-yl]methanol?
The IUPAC name of [3-(butan-2-ylamino)thian-3-yl]methanol (CID 62872202) is [3-(butan-2-ylamino)thian-3-yl]methanol.
What is the SMILES notation for [3-(butan-2-ylamino)thian-3-yl]methanol?
The canonical SMILES for [3-(butan-2-ylamino)thian-3-yl]methanol is CCC(C)NC1(CO)CCCSC1.
What is the InChIKey of [3-(butan-2-ylamino)thian-3-yl]methanol?
The InChIKey is QHAOKFHLUKSZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-9(2)11-10(7-12)5-4-6-13-8-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of [3-(butan-2-ylamino)thian-3-yl]methanol?
[3-(butan-2-ylamino)thian-3-yl]methanol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butan-2-ylamino)thian-3-yl]methanol is sourced from PubChem (CID 62872202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).