N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine

C34H40N2S4 — CID 15762909

IUPACN,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
SMILESc1ccc(SCCN(CCSc2ccccc2)CCN(CCSc2ccccc2)CCSc2ccccc2)cc1
InChIInChI=1S/C34H40N2S4/c1-5-13-31(14-6-1)37-27-23-35(24-28-38-32-15-7-2-8-16-32)21-22-36(25-29-39-33-17-9-3-10-18-33)26-30-40-34-19-11-4-12-20-34/h1-20H,21-30H2
InChIKeyDWSOHBUPEKABHZ-UHFFFAOYSA-N
MW604.98 g/mol
LogP8.76
Rot. Bonds19

About N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine

N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine (PubChem CID 15762909) has the molecular formula C34H40N2S4 and a molecular weight of 604.98 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
PubChem CID15762909
Molecular FormulaC34H40N2S4
Molecular Weight604.98 g/mol
Exact Mass604.21
IUPAC NameN,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
SMILESc1ccc(SCCN(CCSc2ccccc2)CCN(CCSc2ccccc2)CCSc2ccccc2)cc1
InChIInChI=1S/C34H40N2S4/c1-5-13-31(14-6-1)37-27-23-35(24-28-38-32-15-7-2-8-16-32)21-22-36(25-29-39-33-17-9-3-10-18-33)26-30-40-34-19-11-4-12-20-34/h1-20H,21-30H2
InChIKeyDWSOHBUPEKABHZ-UHFFFAOYSA-N
XLogP8.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.98
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 80673627
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CID 78993194
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 140747992
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310
N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 56610274
3-[ethyl(2-phenylsulfanylethyl)amino]propanoic acid
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N-ethyl-2-methyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 79481980
2-(2-bromoethoxy)-N-ethyl-N-(2-phenylsulfanylethyl)ethanamine
CID 114263726
ethane;2-phenylsulfanylethanethiol
CID 142910826
4-[[2-phenylsulfanylethyl(propyl)amino]methyl]aniline
CID 79227841
N'-hydroxy-3-[2-methoxyethyl(2-phenylsulfanylethyl)amino]propanimidamide
CID 79222130
2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962175

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine (CID 15762909) is N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine is c1ccc(SCCN(CCSc2ccccc2)CCN(CCSc2ccccc2)CCSc2ccccc2)cc1.
What is the InChIKey of N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is DWSOHBUPEKABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2S4/c1-5-13-31(14-6-1)37-27-23-35(24-28-38-32-15-7-2-8-16-32)21-22-36(25-29-39-33-17-9-3-10-18-33)26-30-40-34-19-11-4-12-20-34/h1-20H,21-30H2.
What are the key properties of N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine?
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 604.98 g/mol, XLogP of 8.76, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 15762909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).