N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C12H19N3OS2 — CID 43527556

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)N(C)CCC(N)=S)Cc1cccs1
InChIInChI=1S/C12H19N3OS2/c1-14(8-10-4-3-7-18-10)9-12(16)15(2)6-5-11(13)17/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,17)
InChIKeyGLRYQQDJCPZORZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP1.31
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 43527556) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID43527556
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)N(C)CCC(N)=S)Cc1cccs1
InChIInChI=1S/C12H19N3OS2/c1-14(8-10-4-3-7-18-10)9-12(16)15(2)6-5-11(13)17/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,17)
InChIKeyGLRYQQDJCPZORZ-UHFFFAOYSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 51.31
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)-2-[(4-bromophenyl)methyl-methylamino]-N-methylacetamide
CID 61415492
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79652724
2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78788041
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8965206
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide
CID 82103669
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 43527556) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is CN(CC(=O)N(C)CCC(N)=S)Cc1cccs1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is GLRYQQDJCPZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-14(8-10-4-3-7-18-10)9-12(16)15(2)6-5-11(13)17/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 285.44 g/mol, XLogP of 1.31, 7 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)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 43527556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).