3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide

C11H18N2OS — CID 119773776

IUPAC3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccc(CN(C)C(=O)CC(C)N)s1
InChIInChI=1S/C11H18N2OS/c1-8(12)6-11(14)13(3)7-10-5-4-9(2)15-10/h4-5,8H,6-7,12H2,1-3H3
InChIKeySNMRXHYZOZSMJL-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.75
Rot. Bonds4

About 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide

3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide (PubChem CID 119773776) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
PubChem CID119773776
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccc(CN(C)C(=O)CC(C)N)s1
InChIInChI=1S/C11H18N2OS/c1-8(12)6-11(14)13(3)7-10-5-4-9(2)15-10/h4-5,8H,6-7,12H2,1-3H3
InChIKeySNMRXHYZOZSMJL-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 166403146
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
CID 119773733
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
CID 97324897
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 120610443
1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 119317853
1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine
CID 164660676
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide (CID 119773776) is 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide is Cc1ccc(CN(C)C(=O)CC(C)N)s1.
What is the InChIKey of 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is SNMRXHYZOZSMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(12)6-11(14)13(3)7-10-5-4-9(2)15-10/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide?
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 119773776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).