(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide

C13H23NO2S — CID 96541183

IUPAC(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide
SMILESC[C@H](OCC1CC1)C(=O)NC[C@]1(C)CCCS1
InChIInChI=1S/C13H23NO2S/c1-10(16-8-11-4-5-11)12(15)14-9-13(2)6-3-7-17-13/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,13-/m0/s1
InChIKeyMXDXEAIHHYVUMT-GWCFXTLKSA-N
MW257.40 g/mol
LogP2.20
Rot. Bonds6

About (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide

(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide (PubChem CID 96541183) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide
PubChem CID96541183
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide
SMILESC[C@H](OCC1CC1)C(=O)NC[C@]1(C)CCCS1
InChIInChI=1S/C13H23NO2S/c1-10(16-8-11-4-5-11)12(15)14-9-13(2)6-3-7-17-13/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,13-/m0/s1
InChIKeyMXDXEAIHHYVUMT-GWCFXTLKSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclopropylmethoxy)-N-[[(2R)-2-methylthiolan-2-yl]methyl]propanamide
CID 96541187
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide
CID 80736795
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
(2S)-2-amino-3,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]butanamide;hydrochloride
CID 119809936
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
CID 115731415
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
N-[(2-methylthiolan-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 80726376
(2S)-2-amino-3-methyl-N-[2-[(2-methylthiolan-2-yl)methylamino]-2-oxoethyl]butanamide
CID 82961485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide (CID 96541183) is (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide is C[C@H](OCC1CC1)C(=O)NC[C@]1(C)CCCS1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide?
The InChIKey is MXDXEAIHHYVUMT-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-10(16-8-11-4-5-11)12(15)14-9-13(2)6-3-7-17-13/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,13-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide?
(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide has a molecular weight of 257.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide is sourced from PubChem (CID 96541183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).