N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide

C10H18N4OS — CID 75379262

IUPACN-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1cn[nH]n1
InChIInChI=1S/C10H18N4OS/c1-5-10(3,4)12-9(15)7(2)16-8-6-11-14-13-8/h6-7H,5H2,1-4H3,(H,12,15)(H,11,13,14)
InChIKeyCZXIQLOOUUKAAH-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.59
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide

N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide (PubChem CID 75379262) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide
PubChem CID75379262
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1cn[nH]n1
InChIInChI=1S/C10H18N4OS/c1-5-10(3,4)12-9(15)7(2)16-8-6-11-14-13-8/h6-7H,5H2,1-4H3,(H,12,15)(H,11,13,14)
InChIKeyCZXIQLOOUUKAAH-UHFFFAOYSA-N
XLogP1.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 60721401
N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
CID 134060325
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 43302653
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)propanamide
CID 134037737
4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149425
2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 66356220
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide
CID 134038561
N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 78841268
N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 134037851
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
(2,3,6-trimethylphenyl) 2-(2H-triazol-4-ylsulfanyl)propanoate
CID 54318490
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 66103606

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide (CID 75379262) is N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide is CCC(C)(C)NC(=O)C(C)Sc1cn[nH]n1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide?
The InChIKey is CZXIQLOOUUKAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-5-10(3,4)12-9(15)7(2)16-8-6-11-14-13-8/h6-7H,5H2,1-4H3,(H,12,15)(H,11,13,14).
What are the key properties of N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide?
N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide has a molecular weight of 242.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide is sourced from PubChem (CID 75379262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).