N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide

C14H24N6O2S — CID 100731486

IUPACN-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide
SMILESCCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1
InChIInChI=1S/C14H24N6O2S/c1-4-19(11-12(2)10-15)23(21,22)20-7-5-18(6-8-20)14-9-13(3)16-17-14/h9,12H,4-8,11H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyRKGIQBVLWPMMGC-GFCCVEGCSA-N
MW340.45 g/mol
LogP0.57
Rot. Bonds6

About N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide

N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide (PubChem CID 100731486) has the molecular formula C14H24N6O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide
PubChem CID100731486
Molecular FormulaC14H24N6O2S
Molecular Weight340.45 g/mol
Exact Mass340.17
IUPAC NameN-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide
SMILESCCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1
InChIInChI=1S/C14H24N6O2S/c1-4-19(11-12(2)10-15)23(21,22)20-7-5-18(6-8-20)14-9-13(3)16-17-14/h9,12H,4-8,11H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyRKGIQBVLWPMMGC-GFCCVEGCSA-N
XLogP0.57
TPSA96.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-1H-pyrazol-5-yl)piperidin-4-amine
CID 75480354
1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 62548256
1-(3-methyl-1H-pyrazol-5-yl)piperazine dihydrochloride
CID 126809354
1-Cyclobutyl-4-(5-methyl-1H-pyrazol-3-YL)piperazine
CID 99842589
1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 100735344
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-propylpiperazine-1-sulfonamide
CID 132383325
N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine
CID 59485529
N,N-dibutyl-5-methyl-1H-pyrazol-3-amine
CID 71062304
3-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 82668733
5-methyl-N,N-dipropyl-1H-pyrazol-3-amine
CID 86718912
5-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazol-3-amine
CID 90954810
(2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 96902609

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide?
The IUPAC name of N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide (CID 100731486) is N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide is CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1.
What is the InChIKey of N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide?
The InChIKey is RKGIQBVLWPMMGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N6O2S/c1-4-19(11-12(2)10-15)23(21,22)20-7-5-18(6-8-20)14-9-13(3)16-17-14/h9,12H,4-8,11H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide?
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 100731486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).