N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide

C16H27N5O3S — CID 95342421

IUPACN,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1
InChIInChI=1S/C16H27N5O3S/c1-4-20(5-2)25(23,24)21-8-6-19(7-9-21)16(22)15-10-14(15)13-11-17-18(3)12-13/h11-12,14-15H,4-10H2,1-3H3/t14-,15+/m0/s1
InChIKeySZGWHDJRDNPWHG-LSDHHAIUSA-N
MW369.49 g/mol
LogP0.25
Rot. Bonds6

About N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide

N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide (PubChem CID 95342421) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide
PubChem CID95342421
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC NameN,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1
InChIInChI=1S/C16H27N5O3S/c1-4-20(5-2)25(23,24)21-8-6-19(7-9-21)16(22)15-10-14(15)13-11-17-18(3)12-13/h11-12,14-15H,4-10H2,1-3H3/t14-,15+/m0/s1
InChIKeySZGWHDJRDNPWHG-LSDHHAIUSA-N
XLogP0.25
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

(4-ethylsulfonylpiperazin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone
CID 120921904
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334362
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334365
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590738
(4-cyclopentylpiperazin-1-yl)-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590740
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95590694
[2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 56820079
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95613800
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95585732
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590682
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 95585896

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide (CID 95342421) is N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1.
What is the InChIKey of N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide?
The InChIKey is SZGWHDJRDNPWHG-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-4-20(5-2)25(23,24)21-8-6-19(7-9-21)16(22)15-10-14(15)13-11-17-18(3)12-13/h11-12,14-15H,4-10H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 95342421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).