3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide

C8H18N2O4S2 — CID 63923323

IUPAC3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O4S2/c9-4-2-6-16(13,14)10-8-3-1-5-15(11,12)7-8/h8,10H,1-7,9H2
InChIKeyIDNIATMNGUYKFH-UHFFFAOYSA-N
MW270.38 g/mol
LogP-1.17
Rot. Bonds5

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

3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide (PubChem CID 63923323) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide
PubChem CID63923323
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC Name3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O4S2/c9-4-2-6-16(13,14)10-8-3-1-5-15(11,12)7-8/h8,10H,1-7,9H2
InChIKeyIDNIATMNGUYKFH-UHFFFAOYSA-N
XLogP-1.17
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-1$l^{6}-thiane-1,1-dione
CID 14024577
N-Cyclohexyl-11-dioxo-1lambda6-thiolane-3-sulfonamide
CID 18593873
(R)-3-Aminotetrahydro-2H-thiopyran 1,1-dioxide
CID 52420765
(S)-3-Aminotetrahydro-2H-thiopyran 1,1-dioxide
CID 52420763
1,1-Dioxo-4-(sulfinatoamino)thiane
CID 59744356
N-(1,1-dioxothian-4-yl)propane-2-sulfonamide
CID 64586481
3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide
CID 89350528
1,1-Dioxothian-3-amine;molecular hydrogen
CID 144580552
N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide
CID 146644275
butane-1,4-diamine;N-(5-methylsulfonylpentyl)methanesulfonamide
CID 161217358
Sodium;1,1-dioxothian-4-amine;2,2,6,6-tetradeuterio-1,1-dioxothian-4-amine;hydroxide;hydrochloride
CID 161940909
1,1-Dioxothiane-3,5-diamine
CID 168885863

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide (CID 63923323) is 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide is NCCCS(=O)(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide?
The InChIKey is IDNIATMNGUYKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c9-4-2-6-16(13,14)10-8-3-1-5-15(11,12)7-8/h8,10H,1-7,9H2.
What are the key properties of 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide?
3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide has a molecular weight of 270.38 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 63923323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).