N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide

C14H26N4O3S — CID 42896207

IUPACN-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
SMILESC=CCNC(=O)C(C)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C14H26N4O3S/c1-3-6-15-14(19)13(2)16-9-11-18(12-10-16)22(20,21)17-7-4-5-8-17/h3,13H,1,4-12H2,2H3,(H,15,19)
InChIKeyUBPSTBKEVBZTDF-UHFFFAOYSA-N
MW330.45 g/mol
LogP-0.36
Rot. Bonds6

About N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide

N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 42896207) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID42896207
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
SMILESC=CCNC(=O)C(C)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C14H26N4O3S/c1-3-6-15-14(19)13(2)16-9-11-18(12-10-16)22(20,21)17-7-4-5-8-17/h3,13H,1,4-12H2,2H3,(H,15,19)
InChIKeyUBPSTBKEVBZTDF-UHFFFAOYSA-N
XLogP-0.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950769
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493487
N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950768
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide
CID 40758746
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 95309166
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide (CID 42896207) is N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide is C=CCNC(=O)C(C)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is UBPSTBKEVBZTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-3-6-15-14(19)13(2)16-9-11-18(12-10-16)22(20,21)17-7-4-5-8-17/h3,13H,1,4-12H2,2H3,(H,15,19).
What are the key properties of N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 330.45 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 42896207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).