N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide

C10H19N3O2S — CID 107266190

IUPACN-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1(SC)CC1
InChIInChI=1S/C10H19N3O2S/c1-7(8(14)13-9(15)11-2)12-6-10(16-3)4-5-10/h7,12H,4-6H2,1-3H3,(H2,11,13,14,15)
InChIKeyBWJVFZONMLNEMY-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.32
Rot. Bonds5

About N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide

N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide (PubChem CID 107266190) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide
PubChem CID107266190
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1(SC)CC1
InChIInChI=1S/C10H19N3O2S/c1-7(8(14)13-9(15)11-2)12-6-10(16-3)4-5-10/h7,12H,4-6H2,1-3H3,(H2,11,13,14,15)
InChIKeyBWJVFZONMLNEMY-UHFFFAOYSA-N
XLogP0.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide
CID 65120855
N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide
CID 114116655
N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527987
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
(2S)-N-(methylcarbamoyl)-2-[(1-morpholin-4-ylcyclohexyl)methylamino]propanamide
CID 51980815
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 107266231
N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide
CID 113256759
(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide
CID 95156564
N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025
N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide (CID 107266190) is N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide is CNC(=O)NC(=O)C(C)NCC1(SC)CC1.
What is the InChIKey of N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide?
The InChIKey is BWJVFZONMLNEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7(8(14)13-9(15)11-2)12-6-10(16-3)4-5-10/h7,12H,4-6H2,1-3H3,(H2,11,13,14,15).
What are the key properties of N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide?
N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide has a molecular weight of 245.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide is sourced from PubChem (CID 107266190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).