1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide

C11H22N2O4S2 — CID 106065916

IUPAC1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O4S2/c1-9(7-12-10-4-5-10)19(16,17)13-11-3-2-6-18(14,15)8-11/h9-13H,2-8H2,1H3
InChIKeyPPVCYVYVIYWLKX-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.38
Rot. Bonds6

About 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide (PubChem CID 106065916) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
PubChem CID106065916
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O4S2/c1-9(7-12-10-4-5-10)19(16,17)13-11-3-2-6-18(14,15)8-11/h9-13H,2-8H2,1H3
InChIKeyPPVCYVYVIYWLKX-UHFFFAOYSA-N
XLogP-0.38
TPSA92.34 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 ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
CID 106065944
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
CID 115900871
1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 106052302
N-(2,2-difluoroethyl)-1,1-dioxothian-3-amine
CID 63922755
N-(2,2-dimethoxyethyl)-1,1-dioxothian-3-amine
CID 63923418
N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63923373
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine
CID 63921831
1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
CID 106079574
1-(cyclopropylamino)-N-(1-cyclopropylpropan-2-yl)propane-2-sulfonamide
CID 106065688

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide (CID 106065916) is 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide?
The InChIKey is PPVCYVYVIYWLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-9(7-12-10-4-5-10)19(16,17)13-11-3-2-6-18(14,15)8-11/h9-13H,2-8H2,1H3.
What are the key properties of 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 106065916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).