N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide

C13H28N4OS — CID 55225987

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
SMILESCN(C)CCCN(C)CCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C13H28N4OS/c1-15(2)8-5-9-16(3)10-7-13(18)17(4)11-6-12(14)19/h5-11H2,1-4H3,(H2,14,19)
InChIKeyXFAOKPBWYXCSBV-UHFFFAOYSA-N
MW288.46 g/mol
LogP0.39
Rot. Bonds10

About N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide (PubChem CID 55225987) has the molecular formula C13H28N4OS and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
PubChem CID55225987
Molecular FormulaC13H28N4OS
Molecular Weight288.46 g/mol
Exact Mass288.20
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
SMILESCN(C)CCCN(C)CCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C13H28N4OS/c1-15(2)8-5-9-16(3)10-7-13(18)17(4)11-6-12(14)19/h5-11H2,1-4H3,(H2,14,19)
InChIKeyXFAOKPBWYXCSBV-UHFFFAOYSA-N
XLogP0.39
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 63207759
7-(dimethylamino)-N-[3-[ethyl(methyl)amino]propyl]-N-methylheptanamide
CID 168959154
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63983390
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 43290375
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066
4-(dimethylamino)butanethioamide;hydrochloride
CID 18941076
N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
CID 63700931
N-(3-amino-3-sulfanylidenepropyl)-3-[(2-fluorophenyl)methyl-methylamino]-N-methylpropanamide
CID 61412837

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide (CID 55225987) is N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide is CN(C)CCCN(C)CCC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide?
The InChIKey is XFAOKPBWYXCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4OS/c1-15(2)8-5-9-16(3)10-7-13(18)17(4)11-6-12(14)19/h5-11H2,1-4H3,(H2,14,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide has a molecular weight of 288.46 g/mol, XLogP of 0.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 55225987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).