4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid

C10H22N2O2S4 — CID 170561493

IUPAC4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid
SMILESCN(C)C(S)SCSC(S)N(C)CCCC(=O)O
InChIInChI=1S/C10H22N2O2S4/c1-11(2)9(15)17-7-18-10(16)12(3)6-4-5-8(13)14/h9-10,15-16H,4-7H2,1-3H3,(H,13,14)
InChIKeyIDNAXMZYMFZYPK-UHFFFAOYSA-N
MW330.57 g/mol
LogP2.20
Rot. Bonds10

About 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid

4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid (PubChem CID 170561493) has the molecular formula C10H22N2O2S4 and a molecular weight of 330.57 g/mol. Its IUPAC name is 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid
PubChem CID170561493
Molecular FormulaC10H22N2O2S4
Molecular Weight330.57 g/mol
Exact Mass330.06
IUPAC Name4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid
SMILESCN(C)C(S)SCSC(S)N(C)CCCC(=O)O
InChIInChI=1S/C10H22N2O2S4/c1-11(2)9(15)17-7-18-10(16)12(3)6-4-5-8(13)14/h9-10,15-16H,4-7H2,1-3H3,(H,13,14)
InChIKeyIDNAXMZYMFZYPK-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[methyl-[2-[methyl-[propylsulfanyl(sulfanyl)methyl]amino]ethyl]amino]-sulfanylmethyl]sulfanylpropanoic acid
CID 88813084
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexanoic acid
CID 112661582
4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
CID 65067773
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]butanoic acid
CID 55005650
4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
CID 65067772
4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332
4-(dimethylamino)-4-sulfanylbutanoic acid
CID 57084539
6-[1-hydroxypropan-2-yl(methyl)amino]hexanoic acid
CID 104552515
2-[2-carboxyethyl(methyl)amino]hexanoic acid
CID 82328730
4-[3-ethylpentanoyl(methyl)amino]butanoic acid
CID 119347002

Frequently Asked Questions

What is the IUPAC name of 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid (CID 170561493) is 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid is CN(C)C(S)SCSC(S)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid?
The InChIKey is IDNAXMZYMFZYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S4/c1-11(2)9(15)17-7-18-10(16)12(3)6-4-5-8(13)14/h9-10,15-16H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid?
4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid has a molecular weight of 330.57 g/mol, XLogP of 2.20, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid is sourced from PubChem (CID 170561493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).