2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide

C10H15BrN2OS — CID 60947339

IUPAC2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-3-9(12)10(14)13(2)5-8-4-7(11)6-15-8/h4,6,9H,3,5,12H2,1-2H3
InChIKeyZYTRIYVEMVSIBN-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide

2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide (PubChem CID 60947339) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
PubChem CID60947339
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-3-9(12)10(14)13(2)5-8-4-7(11)6-15-8/h4,6,9H,3,5,12H2,1-2H3
InChIKeyZYTRIYVEMVSIBN-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
3-[(4-Bromothiophen-2-yl)methyl-methylamino]propanamide
CID 45826392
N-(2-acetamidoethyl)-3-bromothiophene-2-carboxamide
CID 47038926
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 84593876
5-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1247469
2-amino-N-(1-(thiophen-2-yl)ethyl)butanamide
CID 43649617
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
2-amino-N-[(thiophen-2-yl)methyl]butanamide hydrochloride
CID 121553626
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide
CID 1439869
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 2113338
4-bromo-N-(prop-2-en-1-yl)thiophene-2-carboxamide
CID 2225431
N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide
CID 134809038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide?
The IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide (CID 60947339) is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide is CCC(N)C(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide?
The InChIKey is ZYTRIYVEMVSIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-9(12)10(14)13(2)5-8-4-7(11)6-15-8/h4,6,9H,3,5,12H2,1-2H3.
What are the key properties of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide?
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide has a molecular weight of 291.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide is sourced from PubChem (CID 60947339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).