4-amino-2-(thian-3-yl)butan-1-ol

C9H19NOS — CID 115017955

IUPAC4-amino-2-(thian-3-yl)butan-1-ol
SMILESNCCC(CO)C1CCCSC1
InChIInChI=1S/C9H19NOS/c10-4-3-8(6-11)9-2-1-5-12-7-9/h8-9,11H,1-7,10H2
InChIKeyOCFFRHKHLVDSBF-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.09
Rot. Bonds4

About 4-amino-2-(thian-3-yl)butan-1-ol

4-amino-2-(thian-3-yl)butan-1-ol (PubChem CID 115017955) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-amino-2-(thian-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-2-(thian-3-yl)butan-1-ol
PubChem CID115017955
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-amino-2-(thian-3-yl)butan-1-ol
SMILESNCCC(CO)C1CCCSC1
InChIInChI=1S/C9H19NOS/c10-4-3-8(6-11)9-2-1-5-12-7-9/h8-9,11H,1-7,10H2
InChIKeyOCFFRHKHLVDSBF-UHFFFAOYSA-N
XLogP1.09
TPSA46.25 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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(thian-4-yl)butan-1-ol
CID 115017956
4-fluoro-3-(thiolan-3-yl)butan-1-amine
CID 115015001
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
1-(thian-3-yl)butan-1-ol
CID 130518370
3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol
CID 117237604
3-methoxy-2-(thiolan-3-yl)propan-1-ol
CID 117238022
2-[[(3R)-thian-3-yl]amino]propane-1,3-diol
CID 96981211
2-(thian-3-ylamino)propane-1,3-diol
CID 65312497
2-fluoro-2-(thian-3-yl)ethanimidamide
CID 115014758
3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol
CID 117237716
[4-(aminomethyl)phenyl]-(thian-3-yl)methanol
CID 115042232
2-(thiolan-3-yl)butan-1-amine
CID 82596112

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(thian-3-yl)butan-1-ol?
The IUPAC name of 4-amino-2-(thian-3-yl)butan-1-ol (CID 115017955) is 4-amino-2-(thian-3-yl)butan-1-ol.
What is the SMILES notation for 4-amino-2-(thian-3-yl)butan-1-ol?
The canonical SMILES for 4-amino-2-(thian-3-yl)butan-1-ol is NCCC(CO)C1CCCSC1.
What is the InChIKey of 4-amino-2-(thian-3-yl)butan-1-ol?
The InChIKey is OCFFRHKHLVDSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c10-4-3-8(6-11)9-2-1-5-12-7-9/h8-9,11H,1-7,10H2.
What are the key properties of 4-amino-2-(thian-3-yl)butan-1-ol?
4-amino-2-(thian-3-yl)butan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(thian-3-yl)butan-1-ol is sourced from PubChem (CID 115017955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).