4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide

C10H20N4O2S — CID 114807878

IUPAC4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C10H20N4O2S/c1-9(2)12-17(15,16)14-6-4-13(5-7-14)10(3)8-11/h9-10,12H,4-7H2,1-3H3
InChIKeySUYYDXMBODOOGP-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.24
Rot. Bonds4

About 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide

4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 114807878) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID114807878
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C10H20N4O2S/c1-9(2)12-17(15,16)14-6-4-13(5-7-14)10(3)8-11/h9-10,12H,4-7H2,1-3H3
InChIKeySUYYDXMBODOOGP-UHFFFAOYSA-N
XLogP-0.24
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 115969694
2-[4-(1,1-dioxothian-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341165
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8744775
N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133
4-(methylamino)-N-propan-2-ylpiperidine-1-sulfonamide
CID 114803086
4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 75483805
N-(1-cyanoethyl)morpholine-4-sulfonamide
CID 61123447
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341210
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999320
ethyl 2-[4-(1-cyanoethyl)piperazin-1-yl]sulfonylacetate
CID 55202346
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8749222
4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 113356656

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide (CID 114807878) is 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCN(C(C)C#N)CC1.
What is the InChIKey of 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is SUYYDXMBODOOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(2)12-17(15,16)14-6-4-13(5-7-14)10(3)8-11/h9-10,12H,4-7H2,1-3H3.
What are the key properties of 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide?
4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 114807878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).