N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide

C13H19NOS — CID 78852309

IUPACN-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(C)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c1-3-10(2)13(15)14(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyPMPAOZHTKPYGQH-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.29
Rot. Bonds5

About N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide

N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 78852309) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID78852309
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(C)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c1-3-10(2)13(15)14(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyPMPAOZHTKPYGQH-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 99873303
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 3366355
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
CID 64868203
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide (CID 78852309) is N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide is CCC(C)C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is PMPAOZHTKPYGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-10(2)13(15)14(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide?
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 237.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 78852309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).