N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine

C11H18N2S — CID 126639034

IUPACN',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine
SMILESCN(C)CCCNSc1ccccc1
InChIInChI=1S/C11H18N2S/c1-13(2)10-6-9-12-14-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyMYNWPKLTPCXXSE-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.23
Rot. Bonds6

About N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine

N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine (PubChem CID 126639034) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine
PubChem CID126639034
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine
SMILESCN(C)CCCNSc1ccccc1
InChIInChI=1S/C11H18N2S/c1-13(2)10-6-9-12-14-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyMYNWPKLTPCXXSE-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-phenylsulfanylpent-4-en-1-amine
CID 24752672
N-phenylsulfanylpent-4-en-1-amine
CID 24752671
1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea
CID 9284072
N-[4-(phenylsulfanylamino)butyl]benzenesulfonamide
CID 163657424
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
N',N'-dimethyl-N-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 114525043
N,N-dimethyl-N'-(3-phenylsulfanylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 118584851
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine (CID 126639034) is N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine is CN(C)CCCNSc1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine?
The InChIKey is MYNWPKLTPCXXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-13(2)10-6-9-12-14-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine?
N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine has a molecular weight of 210.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine is sourced from PubChem (CID 126639034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).