N-[3-(methanesulfonamido)propyl]methanesulfonamide

C5H14N2O4S2 — CID 4609400

IUPACN-[3-(methanesulfonamido)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C5H14N2O4S2/c1-12(8,9)6-4-3-5-7-13(2,10)11/h6-7H,3-5H2,1-2H3
InChIKeyOWCDTFBGAKPXKV-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.53
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]methanesulfonamide

N-[3-(methanesulfonamido)propyl]methanesulfonamide (PubChem CID 4609400) has the molecular formula C5H14N2O4S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]methanesulfonamide
PubChem CID4609400
Molecular FormulaC5H14N2O4S2
Molecular Weight230.31 g/mol
Exact Mass230.04
IUPAC NameN-[3-(methanesulfonamido)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C5H14N2O4S2/c1-12(8,9)6-4-3-5-7-13(2,10)11/h6-7H,3-5H2,1-2H3
InChIKeyOWCDTFBGAKPXKV-UHFFFAOYSA-N
XLogP-1.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.53
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

N-propylmethanesulfonamide
CID 235967
N-(3-Aminopropyl)methanesulfonamide
CID 18350602
N,N'-(Ethane-1,2-diyl)dimethanesulfonamide
CID 311998
N-[5-(methanesulfonamido)pentyl]methanesulfonamide
CID 76322404
N-(3-aminopropyl)ethane-1-sulfonamide
CID 24702447
N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide
CID 16654952
N-[3-(propylsulfonylamino)propyl]propane-1-sulfonamide
CID 44434514
N,N'-(Butane-1,4-diyl)dimethanesulfonamide
CID 241170
N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide
CID 5122508
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
N-(2-aminoethyl)-N-(methylsulfonyl)methanesulfonamide
CID 87429618
1,3-Propanediaminium methanesulfonate
CID 87750921

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]methanesulfonamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]methanesulfonamide (CID 4609400) is N-[3-(methanesulfonamido)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]methanesulfonamide is CS(=O)(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]methanesulfonamide?
The InChIKey is OWCDTFBGAKPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O4S2/c1-12(8,9)6-4-3-5-7-13(2,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of N-[3-(methanesulfonamido)propyl]methanesulfonamide?
N-[3-(methanesulfonamido)propyl]methanesulfonamide has a molecular weight of 230.31 g/mol, XLogP of -1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]methanesulfonamide is sourced from PubChem (CID 4609400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).