N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine

C14H22N2O2S — CID 62780382

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine
SMILESCN(C1CCS(=O)(=O)C1)C(CCN)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-16(13-8-10-19(17,18)11-13)14(7-9-15)12-5-3-2-4-6-12/h2-6,13-14H,7-11,15H2,1H3
InChIKeyKZEAHKHAMKYVJW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.20
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine

N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62780382) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine
PubChem CID62780382
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine
SMILESCN(C1CCS(=O)(=O)C1)C(CCN)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-16(13-8-10-19(17,18)11-13)14(7-9-15)12-5-3-2-4-6-12/h2-6,13-14H,7-11,15H2,1H3
InChIKeyKZEAHKHAMKYVJW-UHFFFAOYSA-N
XLogP1.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine 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-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43648677
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017140
N-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 43648601
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870
N-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 55161654
N-(1,1-dioxothiolan-3-yl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 43648599
4-[1-[(1,1-dioxothiolan-3-yl)-methylamino]propyl]phenol
CID 82981785
1-(1-benzothiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 62699057
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol
CID 62617631
1-(4-bromo-2-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 43648660
N-[2-(2-aminoethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 63783247
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)-1-methylurea
CID 42885771

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine (CID 62780382) is N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine is CN(C1CCS(=O)(=O)C1)C(CCN)c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is KZEAHKHAMKYVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-16(13-8-10-19(17,18)11-13)14(7-9-15)12-5-3-2-4-6-12/h2-6,13-14H,7-11,15H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 282.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62780382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).