4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide

C11H18ClN3OS — CID 66427355

IUPAC4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(CN)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClN3OS/c1-14-11(16)5-8(6-13)15(2)7-9-3-4-10(12)17-9/h3-4,8H,5-7,13H2,1-2H3,(H,14,16)
InChIKeyHZYXANWAVOPNEO-UHFFFAOYSA-N
MW275.81 g/mol
LogP1.30
Rot. Bonds6

About 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide

4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide (PubChem CID 66427355) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide
PubChem CID66427355
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(CN)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClN3OS/c1-14-11(16)5-8(6-13)15(2)7-9-3-4-10(12)17-9/h3-4,8H,5-7,13H2,1-2H3,(H,14,16)
InChIKeyHZYXANWAVOPNEO-UHFFFAOYSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-dimethylpentane-1,2-diamine
CID 61438169
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 61442424
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
CID 66426282
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-yl)-N-methylethane-1,2-diamine
CID 61438216

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide?
The IUPAC name of 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide (CID 66427355) is 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide?
The canonical SMILES for 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide is CNC(=O)CC(CN)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide?
The InChIKey is HZYXANWAVOPNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-14-11(16)5-8(6-13)15(2)7-9-3-4-10(12)17-9/h3-4,8H,5-7,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide?
4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide has a molecular weight of 275.81 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 66427355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).