3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine

C13H20N2S — CID 115376345

IUPAC3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine
SMILESCC1CC(Nc2cccc(N(C)C)c2)CS1
InChIInChI=1S/C13H20N2S/c1-10-7-12(9-16-10)14-11-5-4-6-13(8-11)15(2)3/h4-6,8,10,12,14H,7,9H2,1-3H3
InChIKeyWCXNIALRDKTCNP-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.06
Rot. Bonds3

About 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine (PubChem CID 115376345) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine
PubChem CID115376345
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine
SMILESCC1CC(Nc2cccc(N(C)C)c2)CS1
InChIInChI=1S/C13H20N2S/c1-10-7-12(9-16-10)14-11-5-4-6-13(8-11)15(2)3/h4-6,8,10,12,14H,7,9H2,1-3H3
InChIKeyWCXNIALRDKTCNP-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 79941422
1-N-(3-aminocyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376113
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376458
3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 115375907
3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine
CID 115376368
2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
CID 79941354
1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376309
2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol
CID 107678851
6-methoxy-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79941406
4-[3-(dimethylamino)anilino]piperidine-1-carboxamide
CID 115376468

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine (CID 115376345) is 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine is CC1CC(Nc2cccc(N(C)C)c2)CS1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine?
The InChIKey is WCXNIALRDKTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-7-12(9-16-10)14-11-5-4-6-13(8-11)15(2)3/h4-6,8,10,12,14H,7,9H2,1-3H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine has a molecular weight of 236.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 115376345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).