4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide

C12H22N2O2S — CID 80736421

IUPAC4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC1(C)CCCS1
InChIInChI=1S/C12H22N2O2S/c1-12(4-3-5-17-12)8-14-11(15)9-6-16-7-10(9)13-2/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyNDIHCHOGVRXFOU-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.62
Rot. Bonds4

About 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide

4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 80736421) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
PubChem CID80736421
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC1(C)CCCS1
InChIInChI=1S/C12H22N2O2S/c1-12(4-3-5-17-12)8-14-11(15)9-6-16-7-10(9)13-2/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyNDIHCHOGVRXFOU-UHFFFAOYSA-N
XLogP0.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
CID 80738360
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 107163991
2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161098
2-amino-N-[(2-methylthiolan-2-yl)methyl]cycloheptane-1-carboxamide
CID 80736958
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267245
(2S,5R)-5-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120795481
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide (CID 80736421) is 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide is CNC1COCC1C(=O)NCC1(C)CCCS1.
What is the InChIKey of 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is NDIHCHOGVRXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-12(4-3-5-17-12)8-14-11(15)9-6-16-7-10(9)13-2/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide?
4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 80736421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).