N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine

C30H66N4S6 — CID 134221601

IUPACN,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine
SMILESC=CS(C)(C)N(CCN(CCN(S(C)(C)C=C)S(C)(C)C=C)S(C)(C)C=C)CCN(S(C)(C)C=C)S(C)(C)C=C
InChIInChI=1S/C30H66N4S6/c1-19-35(7,8)31(27-29-33(37(11,12)21-3)38(13,14)22-4)25-26-32(36(9,10)20-2)28-30-34(39(15,16)23-5)40(17,18)24-6/h19-24H,1-6,25-30H2,7-18H3
InChIKeyVMTBQDZVMMAALR-UHFFFAOYSA-N
MW675.29 g/mol
LogP8.93
Rot. Bonds21

About N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine

N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine (PubChem CID 134221601) has the molecular formula C30H66N4S6 and a molecular weight of 675.29 g/mol. Its IUPAC name is N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine
PubChem CID134221601
Molecular FormulaC30H66N4S6
Molecular Weight675.29 g/mol
Exact Mass674.36
IUPAC NameN,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine
SMILESC=CS(C)(C)N(CCN(CCN(S(C)(C)C=C)S(C)(C)C=C)S(C)(C)C=C)CCN(S(C)(C)C=C)S(C)(C)C=C
InChIInChI=1S/C30H66N4S6/c1-19-35(7,8)31(27-29-33(37(11,12)21-3)38(13,14)22-4)25-26-32(36(9,10)20-2)28-30-34(39(15,16)23-5)40(17,18)24-6/h19-24H,1-6,25-30H2,7-18H3
InChIKeyVMTBQDZVMMAALR-UHFFFAOYSA-N
XLogP8.93
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.29
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine (CID 134221601) is N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine is C=CS(C)(C)N(CCN(CCN(S(C)(C)C=C)S(C)(C)C=C)S(C)(C)C=C)CCN(S(C)(C)C=C)S(C)(C)C=C.
What is the InChIKey of N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine?
The InChIKey is VMTBQDZVMMAALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66N4S6/c1-19-35(7,8)31(27-29-33(37(11,12)21-3)38(13,14)22-4)25-26-32(36(9,10)20-2)28-30-34(39(15,16)23-5)40(17,18)24-6/h19-24H,1-6,25-30H2,7-18H3.
What are the key properties of N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine?
N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine has a molecular weight of 675.29 g/mol, XLogP of 8.93, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-[bis[ethenyl(dimethyl)-λ4-sulfanyl]amino]ethyl]-N,N'-bis[ethenyl(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine is sourced from PubChem (CID 134221601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).