2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide

C11H21N5O3S — CID 64546631

IUPAC2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O3S/c1-8(2)6-9(16-20(3,18)19)11(17)12-5-4-10-13-7-14-15-10/h7-9,16H,4-6H2,1-3H3,(H,12,17)(H,13,14,15)
InChIKeyQROHMWWSRSTRMC-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.57
Rot. Bonds8

About 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide

2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide (PubChem CID 64546631) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide
PubChem CID64546631
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O3S/c1-8(2)6-9(16-20(3,18)19)11(17)12-5-4-10-13-7-14-15-10/h7-9,16H,4-6H2,1-3H3,(H,12,17)(H,13,14,15)
InChIKeyQROHMWWSRSTRMC-UHFFFAOYSA-N
XLogP-0.57
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
CID 65291250
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
CID 113236515
2-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]propanoic acid
CID 64547817
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide
CID 64529554
2-methyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 104686734
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide?
The IUPAC name of 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide (CID 64546631) is 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide?
The canonical SMILES for 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide is CC(C)CC(NS(C)(=O)=O)C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide?
The InChIKey is QROHMWWSRSTRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-8(2)6-9(16-20(3,18)19)11(17)12-5-4-10-13-7-14-15-10/h7-9,16H,4-6H2,1-3H3,(H,12,17)(H,13,14,15).
What are the key properties of 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide?
2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide has a molecular weight of 303.39 g/mol, XLogP of -0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 64546631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).