N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide

C12H19N5OS — CID 143017097

IUPACN-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide
SMILESCN(C(=O)CNCSNc1cnccn1)C1CCC1
InChIInChI=1S/C12H19N5OS/c1-17(10-3-2-4-10)12(18)8-14-9-19-16-11-7-13-5-6-15-11/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16)
InChIKeySFOAZOMMQKOJCP-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.09
Rot. Bonds7

About N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide

N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide (PubChem CID 143017097) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide
PubChem CID143017097
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC NameN-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide
SMILESCN(C(=O)CNCSNc1cnccn1)C1CCC1
InChIInChI=1S/C12H19N5OS/c1-17(10-3-2-4-10)12(18)8-14-9-19-16-11-7-13-5-6-15-11/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16)
InChIKeySFOAZOMMQKOJCP-UHFFFAOYSA-N
XLogP1.09
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide 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

N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109
N'-cyclopropyl-N'-methyl-N-pyrazin-2-ylethane-1,2-diamine
CID 62980641
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 63044232
2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide
CID 136531795
N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide
CID 87740588
2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide
CID 95131389
N-cyclobutyl-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072506
N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 55204874
2-(tert-butylamino)-N-cyclopentyl-N-methylacetamide
CID 78987089
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63043691

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide?
The IUPAC name of N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide (CID 143017097) is N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide.
What is the SMILES notation for N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide?
The canonical SMILES for N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide is CN(C(=O)CNCSNc1cnccn1)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide?
The InChIKey is SFOAZOMMQKOJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-17(10-3-2-4-10)12(18)8-14-9-19-16-11-7-13-5-6-15-11/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16).
What are the key properties of N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide?
N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide is sourced from PubChem (CID 143017097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).