4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide

C11H18N2OS — CID 115155462

IUPAC4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccsc1CCNC(=O)CCCN
InChIInChI=1S/C11H18N2OS/c1-9-5-8-15-10(9)4-7-13-11(14)3-2-6-12/h5,8H,2-4,6-7,12H2,1H3,(H,13,14)
InChIKeyMYJIIXKOOSNFJC-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.45
Rot. Bonds6

About 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide

4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 115155462) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
PubChem CID115155462
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccsc1CCNC(=O)CCCN
InChIInChI=1S/C11H18N2OS/c1-9-5-8-15-10(9)4-7-13-11(14)3-2-6-12/h5,8H,2-4,6-7,12H2,1H3,(H,13,14)
InChIKeyMYJIIXKOOSNFJC-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 115153356
2-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 115152050
4-[2-(3-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 122008876
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
(E)-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 115177301
4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115155557
methyl 2-[2-(3-methylthiophen-2-yl)ethylamino]-2-oxoacetate
CID 115142589
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
3-amino-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181342
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 120993978

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide (CID 115155462) is 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide is Cc1ccsc1CCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is MYJIIXKOOSNFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-5-8-15-10(9)4-7-13-11(14)3-2-6-12/h5,8H,2-4,6-7,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide?
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 115155462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).