(2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

C12H19NOS — CID 94607105

IUPAC(2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCC[C@H](C)C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C12H19NOS/c1-5-9(2)12(14)13(4)8-11-10(3)6-7-15-11/h6-7,9H,5,8H2,1-4H3/t9-/m0/s1
InChIKeyCDMWKOOYYBOJLQ-VIFPVBQESA-N
MW225.36 g/mol
LogP3.06
Rot. Bonds4

About (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

(2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (PubChem CID 94607105) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
PubChem CID94607105
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCC[C@H](C)C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C12H19NOS/c1-5-9(2)12(14)13(4)8-11-10(3)6-7-15-11/h6-7,9H,5,8H2,1-4H3/t9-/m0/s1
InChIKeyCDMWKOOYYBOJLQ-VIFPVBQESA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 2453059
N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 60236671
(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
3,3-dimethyl-N-(2-thienylmethyl)butanamide
CID 1246126
Azepan-1-yl-(5-methylthiophen-3-yl)methanone
CID 1247215
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
1-benzyl-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 24980824
1-Methyl-cyclohexanecarboxylic acid methyl-thiophen-2-ylmethyl-amide
CID 57576921
N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 121446760
N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide
CID 121446771

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (CID 94607105) is (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is CC[C@H](C)C(=O)N(C)Cc1sccc1C.
What is the InChIKey of (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is CDMWKOOYYBOJLQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NOS/c1-5-9(2)12(14)13(4)8-11-10(3)6-7-15-11/h6-7,9H,5,8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
(2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 225.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 94607105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).