N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide

C13H27N3OS — CID 63983390

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide
SMILESCCC(C)(C)N(C)CCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C13H27N3OS/c1-6-13(2,3)16(5)10-8-12(17)15(4)9-7-11(14)18/h6-10H2,1-5H3,(H2,14,18)
InChIKeyPUELVHFYCOYSIE-UHFFFAOYSA-N
MW273.45 g/mol
LogP1.63
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide (PubChem CID 63983390) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide
PubChem CID63983390
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide
SMILESCCC(C)(C)N(C)CCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C13H27N3OS/c1-6-13(2,3)16(5)10-8-12(17)15(4)9-7-11(14)18/h6-10H2,1-5H3,(H2,14,18)
InChIKeyPUELVHFYCOYSIE-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983386
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
CID 55225987
N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497
N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
CID 63833793
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide
CID 103020271
2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide
CID 65248584
N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63983300
N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide
CID 63956602
N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide
CID 77014154
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 63207759
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869864

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide (CID 63983390) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide is CCC(C)(C)N(C)CCC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide?
The InChIKey is PUELVHFYCOYSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-6-13(2,3)16(5)10-8-12(17)15(4)9-7-11(14)18/h6-10H2,1-5H3,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide has a molecular weight of 273.45 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 63983390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).