N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide

C18H31N5O2S — CID 92619675

IUPACN,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1
InChIInChI=1S/C18H31N5O2S/c1-4-22(5-2)26(24,25)23-11-9-21(10-12-23)16-13-15(3)20-18(14-16)17-7-6-8-19-17/h13-14,17,19H,4-12H2,1-3H3/t17-/m0/s1
InChIKeyFLFZQFVGBKJFSQ-KRWDZBQOSA-N
MW381.55 g/mol
LogP1.52
Rot. Bonds6

About N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide

N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide (PubChem CID 92619675) has the molecular formula C18H31N5O2S and a molecular weight of 381.55 g/mol. Its IUPAC name is N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide
PubChem CID92619675
Molecular FormulaC18H31N5O2S
Molecular Weight381.55 g/mol
Exact Mass381.22
IUPAC NameN,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1
InChIInChI=1S/C18H31N5O2S/c1-4-22(5-2)26(24,25)23-11-9-21(10-12-23)16-13-15(3)20-18(14-16)17-7-6-8-19-17/h13-14,17,19H,4-12H2,1-3H3/t17-/m0/s1
InChIKeyFLFZQFVGBKJFSQ-KRWDZBQOSA-N
XLogP1.52
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110260458
1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619879
1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619861
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619631
6-[[4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methyl]quinoline
CID 92619694
N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine
CID 110260485
(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone
CID 92619877
4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 43461730
(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95832645
5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 138391870
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
CID 86914969

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide (CID 92619675) is N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1.
What is the InChIKey of N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide?
The InChIKey is FLFZQFVGBKJFSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H31N5O2S/c1-4-22(5-2)26(24,25)23-11-9-21(10-12-23)16-13-15(3)20-18(14-16)17-7-6-8-19-17/h13-14,17,19H,4-12H2,1-3H3/t17-/m0/s1.
What are the key properties of N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide has a molecular weight of 381.55 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide is sourced from PubChem (CID 92619675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).