2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine

C8H17NO3S — CID 103984175

IUPAC2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine
SMILESCOCC(CN)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-12-5-8(4-9)7-2-3-13(10,11)6-7/h7-8H,2-6,9H2,1H3
InChIKeyJQQWNUHFURXFIZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.36
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine

2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine (PubChem CID 103984175) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine
PubChem CID103984175
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine
SMILESCOCC(CN)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-12-5-8(4-9)7-2-3-13(10,11)6-7/h7-8H,2-6,9H2,1H3
InChIKeyJQQWNUHFURXFIZ-UHFFFAOYSA-N
XLogP-0.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(1,1-dioxothiolan-3-yl)-3-methoxypropanoate
CID 117238483
4-[3-amino-2-(1,1-dioxothiolan-3-yl)propoxy]phenol
CID 117237935
3-(1-bromo-3-methoxy-2-methylpropyl)thiolane 1,1-dioxide
CID 116502788
2-(1,1-dioxothiolan-3-yl)-3-methoxypropanoic acid
CID 103975911
3-(2-chlorophenoxy)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 117237746
2-(1,1-dioxothiolan-3-yl)-6-methoxy-N-methylhexan-1-amine
CID 113437124
2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol
CID 66024520
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
2-(1,1-dioxothiolan-3-yl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82930164
O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine
CID 115020988
2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine
CID 62998485
2-(1,1-dioxothiolan-3-yl)-4-propoxybutan-1-ol
CID 106459418

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine (CID 103984175) is 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine is COCC(CN)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine?
The InChIKey is JQQWNUHFURXFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-12-5-8(4-9)7-2-3-13(10,11)6-7/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine?
2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine has a molecular weight of 207.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 103984175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).