1-(dimethylamino)-5-(sulfinoamino)pentane

C7H18N2O2S — CID 91318979

IUPAC1-(dimethylamino)-5-(sulfinoamino)pentane
SMILESCN(C)CCCCCNS(=O)O
InChIInChI=1S/C7H18N2O2S/c1-9(2)7-5-3-4-6-8-12(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyZVBXHTUIXWKCDY-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.44
Rot. Bonds7

About 1-(dimethylamino)-5-(sulfinoamino)pentane

1-(dimethylamino)-5-(sulfinoamino)pentane (PubChem CID 91318979) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(dimethylamino)-5-(sulfinoamino)pentane.

Molecular Properties

Compound Name1-(dimethylamino)-5-(sulfinoamino)pentane
PubChem CID91318979
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name1-(dimethylamino)-5-(sulfinoamino)pentane
SMILESCN(C)CCCCCNS(=O)O
InChIInChI=1S/C7H18N2O2S/c1-9(2)7-5-3-4-6-8-12(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyZVBXHTUIXWKCDY-UHFFFAOYSA-N
XLogP0.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)-5-(sulfinoamino)pentane 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

1-(dimethylamino)-4-(sulfinoamino)butane
CID 90942652
1-(sulfinoamino)tetradecane
CID 57045520
5-(dimethylamino)pentylcarbamodithioic acid
CID 10398092
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-5-(sulfinoamino)pentane?
The IUPAC name of 1-(dimethylamino)-5-(sulfinoamino)pentane (CID 91318979) is 1-(dimethylamino)-5-(sulfinoamino)pentane.
What is the SMILES notation for 1-(dimethylamino)-5-(sulfinoamino)pentane?
The canonical SMILES for 1-(dimethylamino)-5-(sulfinoamino)pentane is CN(C)CCCCCNS(=O)O.
What is the InChIKey of 1-(dimethylamino)-5-(sulfinoamino)pentane?
The InChIKey is ZVBXHTUIXWKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-9(2)7-5-3-4-6-8-12(10)11/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 1-(dimethylamino)-5-(sulfinoamino)pentane?
1-(dimethylamino)-5-(sulfinoamino)pentane has a molecular weight of 194.30 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-5-(sulfinoamino)pentane is sourced from PubChem (CID 91318979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).