N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine

C10H15ClN2S — CID 2299864

IUPACN'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
SMILESNCCNCCSc1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2S/c11-9-1-3-10(4-2-9)14-8-7-13-6-5-12/h1-4,13H,5-8,12H2
InChIKeyUQDZRJIDRVLCRX-UHFFFAOYSA-N
MW230.76 g/mol
LogP1.98
Rot. Bonds6

About N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine

N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine (PubChem CID 2299864) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
PubChem CID2299864
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
SMILESNCCNCCSc1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2S/c11-9-1-3-10(4-2-9)14-8-7-13-6-5-12/h1-4,13H,5-8,12H2
InChIKeyUQDZRJIDRVLCRX-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromophenyl)sulfanylethyl]ethane-1,2-diamine;dihydrochloride
CID 69273866
N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine
CID 60661954
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
3-(4-chlorophenyl)sulfanylpropan-1-amine;hydrochloride
CID 13018772
N'-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]ethane-1,2-diamine;dihydrochloride
CID 69275084
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424
2-(4-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62583508
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
CID 3022021
N'-(2-phenylsulfanylethyl)butane-1,4-diamine;dihydrochloride
CID 45261767
4-(4-chlorophenyl)sulfanyl-N-methylbutan-1-amine
CID 62583689
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
1-[3-(4-chlorophenyl)sulfanylpropylamino]propan-2-ol
CID 2977504

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine (CID 2299864) is N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine is NCCNCCSc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine?
The InChIKey is UQDZRJIDRVLCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c11-9-1-3-10(4-2-9)14-8-7-13-6-5-12/h1-4,13H,5-8,12H2.
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine?
N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine has a molecular weight of 230.76 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine is sourced from PubChem (CID 2299864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).