N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide

C11H22N2O4S2 — CID 114759085

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide
SMILESNCCC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H22N2O4S2/c12-6-5-11(3-4-11)9-13-19(16,17)10-1-7-18(14,15)8-2-10/h10,13H,1-9,12H2
InChIKeyYBFBFORPGUIDSV-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.39
Rot. Bonds6

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide (PubChem CID 114759085) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide
PubChem CID114759085
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide
SMILESNCCC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H22N2O4S2/c12-6-5-11(3-4-11)9-13-19(16,17)10-1-7-18(14,15)8-2-10/h10,13H,1-9,12H2
InChIKeyYBFBFORPGUIDSV-UHFFFAOYSA-N
XLogP-0.39
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide (CID 114759085) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide is NCCC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide?
The InChIKey is YBFBFORPGUIDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c12-6-5-11(3-4-11)9-13-19(16,17)10-1-7-18(14,15)8-2-10/h10,13H,1-9,12H2.
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 114759085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).