2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide

C8H17N3OS — CID 7131202

IUPAC2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(N)=S
InChIInChI=1S/C8H17N3OS/c1-6(2)10-8(12)5-11(3)4-7(9)13/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12)
InChIKeyKSMSNGZEFGPFCP-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.27
Rot. Bonds5

About 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide

2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 7131202) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide
PubChem CID7131202
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(N)=S
InChIInChI=1S/C8H17N3OS/c1-6(2)10-8(12)5-11(3)4-7(9)13/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12)
InChIKeyKSMSNGZEFGPFCP-UHFFFAOYSA-N
XLogP-0.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide (CID 7131202) is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(N)=S.
What is the InChIKey of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is KSMSNGZEFGPFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-6(2)10-8(12)5-11(3)4-7(9)13/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12).
What are the key properties of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide?
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 203.31 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 7131202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).