N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide

C11H21N5O2S — CID 131890540

IUPACN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCC1)c1nncn1C(C)C
InChIInChI=1S/C11H21N5O2S/c1-9(2)16-8-12-13-11(16)10(3)14-19(17,18)15-6-4-5-7-15/h8-10,14H,4-7H2,1-3H3
InChIKeyYQTUINAFNLMSJV-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.85
Rot. Bonds5

About N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide

N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 131890540) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID131890540
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCC1)c1nncn1C(C)C
InChIInChI=1S/C11H21N5O2S/c1-9(2)16-8-12-13-11(16)10(3)14-19(17,18)15-6-4-5-7-15/h8-10,14H,4-7H2,1-3H3
InChIKeyYQTUINAFNLMSJV-UHFFFAOYSA-N
XLogP0.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61253512
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47027427
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 113345805
N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
CID 122560877
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide
CID 30288270
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
CID 166308955
N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133
3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 95121077
N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297985

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide (CID 131890540) is N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide is CC(NS(=O)(=O)N1CCCC1)c1nncn1C(C)C.
What is the InChIKey of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is YQTUINAFNLMSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9(2)16-8-12-13-11(16)10(3)14-19(17,18)15-6-4-5-7-15/h8-10,14H,4-7H2,1-3H3.
What are the key properties of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131890540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).