1-methylsulfonyl-3-(sulfamoylamino)propane

C4H12N2O4S2 — CID 112686404

IUPAC1-methylsulfonyl-3-(sulfamoylamino)propane
SMILESCS(=O)(=O)CCCNS(N)(=O)=O
InChIInChI=1S/C4H12N2O4S2/c1-11(7,8)4-2-3-6-12(5,9)10/h6H,2-4H2,1H3,(H2,5,9,10)
InChIKeyNVANHCRGTGGTNA-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.79
Rot. Bonds5

About 1-methylsulfonyl-3-(sulfamoylamino)propane

1-methylsulfonyl-3-(sulfamoylamino)propane (PubChem CID 112686404) has the molecular formula C4H12N2O4S2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(sulfamoylamino)propane.

Molecular Properties

Compound Name1-methylsulfonyl-3-(sulfamoylamino)propane
PubChem CID112686404
Molecular FormulaC4H12N2O4S2
Molecular Weight216.28 g/mol
Exact Mass216.02
IUPAC Name1-methylsulfonyl-3-(sulfamoylamino)propane
SMILESCS(=O)(=O)CCCNS(N)(=O)=O
InChIInChI=1S/C4H12N2O4S2/c1-11(7,8)4-2-3-6-12(5,9)10/h6H,2-4H2,1H3,(H2,5,9,10)
InChIKeyNVANHCRGTGGTNA-UHFFFAOYSA-N
XLogP-1.79
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonyl-2-(sulfamoylamino)ethane
CID 112688958
3-(sulfamoylamino)propane-1-sulfonamide
CID 112689045
azane;1-(sulfamoylamino)pentane
CID 87509026
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
1-(propan-2-ylamino)-3-(sulfamoylamino)propane
CID 114959323
N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
CID 63190802
N-(2-methylsulfanylethyl)-3-methylsulfonylpropan-1-amine
CID 58823063
4-(sulfamoylamino)butanamide
CID 112684755
(3S)-3-hydroxy-1-(sulfamoylamino)butane
CID 130638479
2-amino-4,5-dimethyl-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61127178
1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 102869245
1-chloro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 65025907

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(sulfamoylamino)propane?
The IUPAC name of 1-methylsulfonyl-3-(sulfamoylamino)propane (CID 112686404) is 1-methylsulfonyl-3-(sulfamoylamino)propane.
What is the SMILES notation for 1-methylsulfonyl-3-(sulfamoylamino)propane?
The canonical SMILES for 1-methylsulfonyl-3-(sulfamoylamino)propane is CS(=O)(=O)CCCNS(N)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-3-(sulfamoylamino)propane?
The InChIKey is NVANHCRGTGGTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4S2/c1-11(7,8)4-2-3-6-12(5,9)10/h6H,2-4H2,1H3,(H2,5,9,10).
What are the key properties of 1-methylsulfonyl-3-(sulfamoylamino)propane?
1-methylsulfonyl-3-(sulfamoylamino)propane has a molecular weight of 216.28 g/mol, XLogP of -1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(sulfamoylamino)propane is sourced from PubChem (CID 112686404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).