3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide

C15H24N2OS — CID 65269853

IUPAC3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H24N2OS/c1-14(2,15(3,4)16)13(18)17(11-7-8-11)10-12-6-5-9-19-12/h5-6,9,11H,7-8,10,16H2,1-4H3
InChIKeyWVOILTVEOPUCCA-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.00
Rot. Bonds5

About 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide

3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 65269853) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID65269853
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H24N2OS/c1-14(2,15(3,4)16)13(18)17(11-7-8-11)10-12-6-5-9-19-12/h5-6,9,11H,7-8,10,16H2,1-4H3
InChIKeyWVOILTVEOPUCCA-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide
CID 63177482
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
3-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 64892349

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 65269853) is 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide is CC(C)(N)C(C)(C)C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is WVOILTVEOPUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-14(2,15(3,4)16)13(18)17(11-7-8-11)10-12-6-5-9-19-12/h5-6,9,11H,7-8,10,16H2,1-4H3.
What are the key properties of 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 280.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 65269853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).