4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine

C15H23ClN2O2S — CID 62979316

IUPAC4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
SMILESCC(c1cccc(Cl)c1)N(C)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-12(13-4-3-5-14(16)10-13)18(2)15(11-17)6-8-21(19,20)9-7-15/h3-5,10,12H,6-9,11,17H2,1-2H3
InChIKeyMEAMJOOJZLJHGM-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.24
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine

4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine (PubChem CID 62979316) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
PubChem CID62979316
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
SMILESCC(c1cccc(Cl)c1)N(C)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-12(13-4-3-5-14(16)10-13)18(2)15(11-17)6-8-21(19,20)9-7-15/h3-5,10,12H,6-9,11,17H2,1-2H3
InChIKeyMEAMJOOJZLJHGM-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylcyclobutan-1-amine
CID 79520737
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
CID 62977913
3-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylthian-3-amine
CID 62978618
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744863
3-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,2-dimethylthian-3-amine
CID 79951528
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 63465615
3-N-[1-(3-chlorophenyl)ethyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62979514
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138512
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
CID 96555027

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine (CID 62979316) is 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine is CC(c1cccc(Cl)c1)N(C)C1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine?
The InChIKey is MEAMJOOJZLJHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12(13-4-3-5-14(16)10-13)18(2)15(11-17)6-8-21(19,20)9-7-15/h3-5,10,12H,6-9,11,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine?
4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine has a molecular weight of 330.88 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 62979316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).