N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

C13H21NOS — CID 51073057

IUPACN,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccsc1CN(C)C(=O)CC(C)(C)C
InChIInChI=1S/C13H21NOS/c1-10-6-7-16-11(10)9-14(5)12(15)8-13(2,3)4/h6-7H,8-9H2,1-5H3
InChIKeyCDTIYNZVCFTSIO-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.45
Rot. Bonds3

About N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (PubChem CID 51073057) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
PubChem CID51073057
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccsc1CN(C)C(=O)CC(C)(C)C
InChIInChI=1S/C13H21NOS/c1-10-6-7-16-11(10)9-14(5)12(15)8-13(2,3)4/h6-7H,8-9H2,1-5H3
InChIKeyCDTIYNZVCFTSIO-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155110
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119689284
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (CID 51073057) is N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is Cc1ccsc1CN(C)C(=O)CC(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is CDTIYNZVCFTSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-6-7-16-11(10)9-14(5)12(15)8-13(2,3)4/h6-7H,8-9H2,1-5H3.
What are the key properties of N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 239.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 51073057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).