1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide

C14H28N2O2S — CID 75520129

IUPAC1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESC=CCC(C)C(C)N1CCC(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C14H28N2O2S/c1-6-7-12(4)13(5)16-9-8-14(10-16)19(17,18)15-11(2)3/h6,11-15H,1,7-10H2,2-5H3
InChIKeyPNQXXYLZIZHBSE-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.99
Rot. Bonds7

About 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide

1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide (PubChem CID 75520129) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
PubChem CID75520129
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESC=CCC(C)C(C)N1CCC(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C14H28N2O2S/c1-6-7-12(4)13(5)16-9-8-14(10-16)19(17,18)15-11(2)3/h6,11-15H,1,7-10H2,2-5H3
InChIKeyPNQXXYLZIZHBSE-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 97820017
CID 97820017
CID 167009320
CID 167009320
CID 61950770
CID 61950770
CID 75383027
CID 75383027
CID 79673805
CID 79673805
CID 81929106
CID 81929106
CID 86801794
CID 86801794
CID 86807107
CID 86807107
CID 97230945
CID 97230945
CID 97230946
CID 97230946
CID 97230947
CID 97230947
CID 97230948
CID 97230948

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide (CID 75520129) is 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide is C=CCC(C)C(C)N1CCC(S(=O)(=O)NC(C)C)C1.
What is the InChIKey of 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is PNQXXYLZIZHBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-6-7-12(4)13(5)16-9-8-14(10-16)19(17,18)15-11(2)3/h6,11-15H,1,7-10H2,2-5H3.
What are the key properties of 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 75520129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).