N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine

C14H24N2S — CID 79221911

IUPACN'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)CCSc1ccccc1
InChIInChI=1S/C14H24N2S/c1-13(2)15-9-10-16(3)11-12-17-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKeyKSRROPCZODQARP-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.71
Rot. Bonds8

About N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine

N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 79221911) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID79221911
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)CCSc1ccccc1
InChIInChI=1S/C14H24N2S/c1-13(2)15-9-10-16(3)11-12-17-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKeyKSRROPCZODQARP-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
1-N-ethyl-1-N-methyl-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 103109593
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
methyl 4-[methyl(2-phenylsulfanylethyl)amino]butanoate
CID 62013452
1-N,1-N,3-trimethyl-2-N-(2-phenylsulfanylethyl)butane-1,2-diamine
CID 79222093
N-(2-phenylsulfanylethyl)-4-(propan-2-ylamino)butanamide
CID 54881093
N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
CID 79319585
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228773
N'-ethyl-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62636240

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine (CID 79221911) is N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)CCSc1ccccc1.
What is the InChIKey of N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is KSRROPCZODQARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(2)15-9-10-16(3)11-12-17-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine?
N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 79221911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).