N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide

C11H21N3O2S — CID 80527987

IUPACN-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1(C)CCCS1
InChIInChI=1S/C11H21N3O2S/c1-8(9(15)14-10(16)12-3)13-7-11(2)5-4-6-17-11/h8,13H,4-7H2,1-3H3,(H2,12,14,15,16)
InChIKeyMLZYZKTYJALOSU-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.71
Rot. Bonds4

About N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide

N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide (PubChem CID 80527987) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
PubChem CID80527987
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1(C)CCCS1
InChIInChI=1S/C11H21N3O2S/c1-8(9(15)14-10(16)12-3)13-7-11(2)5-4-6-17-11/h8,13H,4-7H2,1-3H3,(H2,12,14,15,16)
InChIKeyMLZYZKTYJALOSU-UHFFFAOYSA-N
XLogP0.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527849
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80528101
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide
CID 65120855
N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide
CID 107266190
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 103259883
N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide
CID 115728225
(2S)-N-(methylcarbamoyl)-2-[(1-morpholin-4-ylcyclohexyl)methylamino]propanamide
CID 51980815
(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide
CID 95156564
N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 80726960

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide (CID 80527987) is N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide is CNC(=O)NC(=O)C(C)NCC1(C)CCCS1.
What is the InChIKey of N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The InChIKey is MLZYZKTYJALOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-8(9(15)14-10(16)12-3)13-7-11(2)5-4-6-17-11/h8,13H,4-7H2,1-3H3,(H2,12,14,15,16).
What are the key properties of N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide has a molecular weight of 259.37 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide is sourced from PubChem (CID 80527987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).