N,N-diaminopentane-1-sulfonamide

C5H15N3O2S — CID 88729680

IUPACN,N-diaminopentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(N)N
InChIInChI=1S/C5H15N3O2S/c1-2-3-4-5-11(9,10)8(6)7/h2-7H2,1H3
InChIKeyCYSWGFXOVAHMLN-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.44
Rot. Bonds5

About N,N-diaminopentane-1-sulfonamide

N,N-diaminopentane-1-sulfonamide (PubChem CID 88729680) has the molecular formula C5H15N3O2S and a molecular weight of 181.26 g/mol. Its IUPAC name is N,N-diaminopentane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diaminopentane-1-sulfonamide
PubChem CID88729680
Molecular FormulaC5H15N3O2S
Molecular Weight181.26 g/mol
Exact Mass181.09
IUPAC NameN,N-diaminopentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(N)N
InChIInChI=1S/C5H15N3O2S/c1-2-3-4-5-11(9,10)8(6)7/h2-7H2,1H3
InChIKeyCYSWGFXOVAHMLN-UHFFFAOYSA-N
XLogP-0.44
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylheptane-1-sulfonamide
CID 118391256
N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N-butylsulfonyl-N-oxidopentane-1-sulfonamide
CID 163844134
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N,N-bis(prop-2-enyl)octane-1-sulfonamide
CID 88561748
pentacosane-1-sulfonamide
CID 149252389
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
hexane;sulfamide
CID 87750585
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
azane;octadecane-1-sulfonic acid
CID 173437409

Frequently Asked Questions

What is the IUPAC name of N,N-diaminopentane-1-sulfonamide?
The IUPAC name of N,N-diaminopentane-1-sulfonamide (CID 88729680) is N,N-diaminopentane-1-sulfonamide.
What is the SMILES notation for N,N-diaminopentane-1-sulfonamide?
The canonical SMILES for N,N-diaminopentane-1-sulfonamide is CCCCCS(=O)(=O)N(N)N.
What is the InChIKey of N,N-diaminopentane-1-sulfonamide?
The InChIKey is CYSWGFXOVAHMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O2S/c1-2-3-4-5-11(9,10)8(6)7/h2-7H2,1H3.
What are the key properties of N,N-diaminopentane-1-sulfonamide?
N,N-diaminopentane-1-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diaminopentane-1-sulfonamide is sourced from PubChem (CID 88729680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).