2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol

C7H15NO3S — CID 61058037

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
SMILESCC(CO)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-6(4-9)8-7-2-3-12(10,11)5-7/h6-9H,2-5H2,1H3
InChIKeyIBRLJIXXGXXNTM-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.86
Rot. Bonds3

About 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol

2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol (PubChem CID 61058037) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
PubChem CID61058037
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
SMILESCC(CO)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-6(4-9)8-7-2-3-12(10,11)5-7/h6-9H,2-5H2,1H3
InChIKeyIBRLJIXXGXXNTM-UHFFFAOYSA-N
XLogP-0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexan-2-yl-1,1-dioxothiolan-3-amine
CID 43757079
N-(6-methylhept-5-en-2-yl)-1,1-dioxothiolan-3-amine
CID 115707641
2-[(1,1-dioxothiolan-3-yl)amino]-3-hydroxypropanoic acid
CID 4263871
(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine
CID 97358805
(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
CID 93281259
3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol
CID 115901106
methyl (2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 7740869
methyl (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 40546545
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
CID 43085824
N-heptan-4-yl-1,1-dioxothiolan-3-amine
CID 43191007
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol (CID 61058037) is 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol is CC(CO)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol?
The InChIKey is IBRLJIXXGXXNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6(4-9)8-7-2-3-12(10,11)5-7/h6-9H,2-5H2,1H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol?
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol has a molecular weight of 193.27 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 61058037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).