3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide

C10H15BrN2OS — CID 62670361

IUPAC3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-7(4-12)10(14)13(2)5-9-3-8(11)6-15-9/h3,6-7H,4-5,12H2,1-2H3
InChIKeyGRPOSWWUUYEIDD-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide

3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide (PubChem CID 62670361) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
PubChem CID62670361
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-7(4-12)10(14)13(2)5-9-3-8(11)6-15-9/h3,6-7H,4-5,12H2,1-2H3
InChIKeyGRPOSWWUUYEIDD-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
CID 106112087
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084
N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 47042167
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide
CID 63584163
4-amino-N-[(4-bromothiophen-2-yl)methyl]-3-ethoxy-N-methylbutanamide
CID 114227354
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N,2-dimethylbutanamide
CID 54984704
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide (CID 62670361) is 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide is CC(CN)C(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide?
The InChIKey is GRPOSWWUUYEIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-7(4-12)10(14)13(2)5-9-3-8(11)6-15-9/h3,6-7H,4-5,12H2,1-2H3.
What are the key properties of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide?
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide has a molecular weight of 291.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 62670361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).