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

C11H17BrN2OS — CID 81087845

IUPAC4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-8(5-13)3-11(15)14(2)6-10-4-9(12)7-16-10/h4,7-8H,3,5-6,13H2,1-2H3
InChIKeyIKGMWZNHHLMIFJ-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.45
Rot. Bonds5

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

4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 81087845) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
PubChem CID81087845
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-8(5-13)3-11(15)14(2)6-10-4-9(12)7-16-10/h4,7-8H,3,5-6,13H2,1-2H3
InChIKeyIKGMWZNHHLMIFJ-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
4-amino-N-[(4-bromothiophen-2-yl)methyl]-3-ethoxy-N-methylbutanamide
CID 114227354
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
CID 106112087
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
3-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912395
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide (CID 81087845) is 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide is CC(CN)CC(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is IKGMWZNHHLMIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-8(5-13)3-11(15)14(2)6-10-4-9(12)7-16-10/h4,7-8H,3,5-6,13H2,1-2H3.
What are the key properties of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide?
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 305.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 81087845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).