N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide

C13H21N3OS — CID 46695811

IUPACN-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
SMILESCC(Sc1nccn1C1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H21N3OS/c1-9(11(17)15-13(2,3)4)18-12-14-7-8-16(12)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,15,17)
InChIKeyRQYOQAVOKLLUJO-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.61
Rot. Bonds4

About N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide

N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide (PubChem CID 46695811) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
PubChem CID46695811
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
SMILESCC(Sc1nccn1C1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H21N3OS/c1-9(11(17)15-13(2,3)4)18-12-14-7-8-16(12)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,15,17)
InChIKeyRQYOQAVOKLLUJO-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 46688714
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 25416730
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 25345475
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 18141467
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide
CID 24500840
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 16587948
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 36834661
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 43038478
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
N-tert-butyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 86790559
(2S)-N-tert-butyl-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8997803
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55508617

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide (CID 46695811) is N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide is CC(Sc1nccn1C1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is RQYOQAVOKLLUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(11(17)15-13(2,3)4)18-12-14-7-8-16(12)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 267.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46695811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).