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

C10H19N3O2S — CID 80527849

IUPACN-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
SMILESCC(NCC1(C)CCCS1)C(=O)NC(N)=O
InChIInChI=1S/C10H19N3O2S/c1-7(8(14)13-9(11)15)12-6-10(2)4-3-5-16-10/h7,12H,3-6H2,1-2H3,(H3,11,13,14,15)
InChIKeyYHMNOUSBKYYLTR-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.45
Rot. Bonds4

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

N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide (PubChem CID 80527849) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
PubChem CID80527849
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
SMILESCC(NCC1(C)CCCS1)C(=O)NC(N)=O
InChIInChI=1S/C10H19N3O2S/c1-7(8(14)13-9(11)15)12-6-10(2)4-3-5-16-10/h7,12H,3-6H2,1-2H3,(H3,11,13,14,15)
InChIKeyYHMNOUSBKYYLTR-UHFFFAOYSA-N
XLogP0.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527987
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80528101
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
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725460
N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 80726960
(2S)-2-amino-3-methyl-N-[2-[(2-methylthiolan-2-yl)methylamino]-2-oxoethyl]butanamide
CID 82961485
2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide
CID 80736795
(2S)-2-amino-3,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]butanamide;hydrochloride
CID 119809936

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide (CID 80527849) is N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide is CC(NCC1(C)CCCS1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The InChIKey is YHMNOUSBKYYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7(8(14)13-9(11)15)12-6-10(2)4-3-5-16-10/h7,12H,3-6H2,1-2H3,(H3,11,13,14,15).
What are the key properties of N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide has a molecular weight of 245.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide is sourced from PubChem (CID 80527849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).