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

C8H21N3O4S2 — CID 151187280

IUPACN-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCCNS(C)(=O)=O
InChIInChI=1S/C8H21N3O4S2/c1-16(12,13)10-7-3-5-9-6-4-8-11-17(2,14)15/h9-11H,3-8H2,1-2H3
InChIKeyNFONNTCHBIKVKZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP-1.55
Rot. Bonds10

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

N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide (PubChem CID 151187280) has the molecular formula C8H21N3O4S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide
PubChem CID151187280
Molecular FormulaC8H21N3O4S2
Molecular Weight287.41 g/mol
Exact Mass287.10
IUPAC NameN-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCCNS(C)(=O)=O
InChIInChI=1S/C8H21N3O4S2/c1-16(12,13)10-7-3-5-9-6-4-8-11-17(2,14)15/h9-11H,3-8H2,1-2H3
InChIKeyNFONNTCHBIKVKZ-UHFFFAOYSA-N
XLogP-1.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
N-[3-(2,2-dimethylpropylamino)propyl]methanesulfonamide
CID 53584383
Tripropylammonium mesylate
CID 171393722
N-ethyl-N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide
CID 61013676
N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide
CID 61014023
N-ethyl-N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide
CID 64554409
N-ethyl-N-[3-(2-fluoroethylamino)propyl]methanesulfonamide
CID 80695162
N-ethyl-N-[3-(3-fluoropropylamino)propyl]methanesulfonamide
CID 81105224
N-[3-(2-fluoroethylamino)propyl]methanesulfonamide
CID 106336257
N-[3-(3-fluoropropylamino)propyl]methanesulfonamide
CID 106336308
Methanesulfonamide, N-[3-(diethylamino)propyl]-
CID 3330231

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide (CID 151187280) is N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide?
The InChIKey is NFONNTCHBIKVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O4S2/c1-16(12,13)10-7-3-5-9-6-4-8-11-17(2,14)15/h9-11H,3-8H2,1-2H3.
What are the key properties of N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide?
N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide has a molecular weight of 287.41 g/mol, XLogP of -1.55, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide is sourced from PubChem (CID 151187280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).