N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide

C11H24N2O4S2 — CID 106154133

IUPACN-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
SMILESCC(CN)CCCNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-10(9-12)3-2-6-13-19(16,17)11-4-7-18(14,15)8-5-11/h10-11,13H,2-9,12H2,1H3
InChIKeySLUQQWKZBYTHTQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.14
Rot. Bonds7

About N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide

N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 106154133) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID106154133
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
SMILESCC(CN)CCCNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-10(9-12)3-2-6-13-19(16,17)11-4-7-18(14,15)8-5-11/h10-11,13H,2-9,12H2,1H3
InChIKeySLUQQWKZBYTHTQ-UHFFFAOYSA-N
XLogP-0.14
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106158568
N-(6-chlorohexyl)-1,1-dioxothiane-4-sulfonamide
CID 107849074
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 66091585
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
CID 106158932
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738
N-(4-hydroxypentyl)cyclopropanesulfonamide
CID 107271165
N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106141685
3-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpropanethioamide
CID 55102041
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
N-(cyanomethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084754

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide (CID 106154133) is N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide is CC(CN)CCCNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is SLUQQWKZBYTHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-10(9-12)3-2-6-13-19(16,17)11-4-7-18(14,15)8-5-11/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide?
N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 312.46 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 106154133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).