N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide

C10H20N2O4S2 — CID 104826101

IUPACN-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCC1CNCC1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O4S2/c1-8-6-11-7-10(8)12-18(15,16)9-2-4-17(13,14)5-3-9/h8-12H,2-7H2,1H3
InChIKeyDUYLMFIUTIMMMF-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.91
Rot. Bonds3

About N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide

N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 104826101) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
PubChem CID104826101
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC NameN-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCC1CNCC1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O4S2/c1-8-6-11-7-10(8)12-18(15,16)9-2-4-17(13,14)5-3-9/h8-12H,2-7H2,1H3
InChIKeyDUYLMFIUTIMMMF-UHFFFAOYSA-N
XLogP-0.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
CID 79686071
N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 62083890
N-(2-aminocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 63252300
N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 80661845
N-(2-bromocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 114297372
2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 104826091
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
CID 51133233
1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
CID 104826070
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
N-(4-chlorocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 65033187
1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide
CID 79685893
N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide
CID 61150579

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide (CID 104826101) is N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide is CC1CNCC1NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is DUYLMFIUTIMMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-8-6-11-7-10(8)12-18(15,16)9-2-4-17(13,14)5-3-9/h8-12H,2-7H2,1H3.
What are the key properties of N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide?
N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 296.41 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 104826101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).