N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine

C10H19NO4S — CID 131065113

IUPACN-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine
SMILESCC1(CNC2CCS(=O)(=O)CC2)OCCO1
InChIInChI=1S/C10H19NO4S/c1-10(14-4-5-15-10)8-11-9-2-6-16(12,13)7-3-9/h9,11H,2-8H2,1H3
InChIKeyYELYWINJYBRZAH-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.08
Rot. Bonds3

About N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine

N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine (PubChem CID 131065113) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine
PubChem CID131065113
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine
SMILESCC1(CNC2CCS(=O)(=O)CC2)OCCO1
InChIInChI=1S/C10H19NO4S/c1-10(14-4-5-15-10)8-11-9-2-6-16(12,13)7-3-9/h9,11H,2-8H2,1H3
InChIKeyYELYWINJYBRZAH-UHFFFAOYSA-N
XLogP-0.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-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

N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine
CID 131153771
1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546
N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 63822404
1,1-dioxo-N-prop-2-ynylthian-4-amine
CID 43511413
cis-(1S,3R)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99827879
N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine
CID 63982238
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexanamine
CID 165438987
4-[(1,1-dioxothian-4-yl)amino]-2-methylbut-2-enoic acid
CID 103239250
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
CID 64910901
3-[(1,1-dioxothian-4-yl)amino]-2-methylpropane-1,2-diol
CID 66168318
N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43511440

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine (CID 131065113) is N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine is CC1(CNC2CCS(=O)(=O)CC2)OCCO1.
What is the InChIKey of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine?
The InChIKey is YELYWINJYBRZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-10(14-4-5-15-10)8-11-9-2-6-16(12,13)7-3-9/h9,11H,2-8H2,1H3.
What are the key properties of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine?
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine has a molecular weight of 249.33 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 131065113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).