2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide

C13H24N2O2S — CID 62638054

IUPAC2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide
SMILESCNC(C)C(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C13H24N2O2S/c1-10(14-2)13(16)15(11-5-7-18-9-11)8-12-4-3-6-17-12/h10-12,14H,3-9H2,1-2H3
InChIKeyOASGKGVPTLMRKS-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.11
Rot. Bonds5

About 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide

2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide (PubChem CID 62638054) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide
PubChem CID62638054
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide
SMILESCNC(C)C(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C13H24N2O2S/c1-10(14-2)13(16)15(11-5-7-18-9-11)8-12-4-3-6-17-12/h10-12,14H,3-9H2,1-2H3
InChIKeyOASGKGVPTLMRKS-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 61163740
3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 62838859
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
CID 95376670
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
CID 61029247
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide (CID 62638054) is 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide is CNC(C)C(=O)N(CC1CCCO1)C1CCSC1.
What is the InChIKey of 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide?
The InChIKey is OASGKGVPTLMRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10(14-2)13(16)15(11-5-7-18-9-11)8-12-4-3-6-17-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide?
2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide has a molecular weight of 272.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 62638054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).