N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide

C9H13NO2S — CID 670280

IUPACN-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-7(6-12-2)10-9(11)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyRHFAKHANUQCPEM-ZETCQYMHSA-N
MW199.28 g/mol
LogP1.51
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide (PubChem CID 670280) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
PubChem CID670280
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-7(6-12-2)10-9(11)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyRHFAKHANUQCPEM-ZETCQYMHSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-cyclohexylthiophene-2-carboxamide
CID 855035
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
Thiophene-2-carboxylic acid, morpholide
CID 531921
N-(1,1-dioxidotetrahydrothiophen-3-yl)thiophene-2-carboxamide
CID 2891912
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
N-cyclooctylthiophene-2-carboxamide
CID 673377

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide (CID 670280) is N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide is COC[C@H](C)NC(=O)c1cccs1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide?
The InChIKey is RHFAKHANUQCPEM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(6-12-2)10-9(11)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 670280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).