N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide

C16H28N4O2S — CID 901906

IUPACN,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C16H28N4O2S/c1-5-20(6-2)23(21,22)16-13-17-8-7-15(16)19-11-9-18(10-12-19)14(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyWVXXSUKHZKQJKJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.64
Rot. Bonds6

About N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide

N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 901906) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID901906
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C16H28N4O2S/c1-5-20(6-2)23(21,22)16-13-17-8-7-15(16)19-11-9-18(10-12-19)14(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyWVXXSUKHZKQJKJ-UHFFFAOYSA-N
XLogP1.64
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-yl)benzenesulfonamide
CID 669138
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 2738468
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
4-(5-Methyl-2-pirazolino)-3-pyridinesulfonamide
CID 46704077
4-Ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10608635
N-isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinecarboxamide
CID 1214480
N-{4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinyl}propanamide
CID 1214521
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide
CID 1214515
AJ-333/09219002
CID 4118683

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide (CID 901906) is N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1.
What is the InChIKey of N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is WVXXSUKHZKQJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-5-20(6-2)23(21,22)16-13-17-8-7-15(16)19-11-9-18(10-12-19)14(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3.
What are the key properties of N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
N,N-diethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.64, 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-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 901906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).