2-(thian-4-ylamino)butan-1-ol

C9H19NOS — CID 43394823

IUPAC2-(thian-4-ylamino)butan-1-ol
SMILESCCC(CO)NC1CCSCC1
InChIInChI=1S/C9H19NOS/c1-2-8(7-11)10-9-3-5-12-6-4-9/h8-11H,2-7H2,1H3
InChIKeyOMXKEYDYXHJDMK-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds4

About 2-(thian-4-ylamino)butan-1-ol

2-(thian-4-ylamino)butan-1-ol (PubChem CID 43394823) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(thian-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-(thian-4-ylamino)butan-1-ol
PubChem CID43394823
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(thian-4-ylamino)butan-1-ol
SMILESCCC(CO)NC1CCSCC1
InChIInChI=1S/C9H19NOS/c1-2-8(7-11)10-9-3-5-12-6-4-9/h8-11H,2-7H2,1H3
InChIKeyOMXKEYDYXHJDMK-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 2-(thian-4-ylamino)butan-1-ol?
The IUPAC name of 2-(thian-4-ylamino)butan-1-ol (CID 43394823) is 2-(thian-4-ylamino)butan-1-ol.
What is the SMILES notation for 2-(thian-4-ylamino)butan-1-ol?
The canonical SMILES for 2-(thian-4-ylamino)butan-1-ol is CCC(CO)NC1CCSCC1.
What is the InChIKey of 2-(thian-4-ylamino)butan-1-ol?
The InChIKey is OMXKEYDYXHJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-8(7-11)10-9-3-5-12-6-4-9/h8-11H,2-7H2,1H3.
What are the key properties of 2-(thian-4-ylamino)butan-1-ol?
2-(thian-4-ylamino)butan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-ylamino)butan-1-ol is sourced from PubChem (CID 43394823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).