(1R)-1,5-diaminopentane-1-sulfonamide

C5H15N3O2S — CID 87425398

IUPAC(1R)-1,5-diaminopentane-1-sulfonamide
SMILESNCCCC[C@H](N)S(N)(=O)=O
InChIInChI=1S/C5H15N3O2S/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/t5-/m1/s1
InChIKeyMFDWKGBWNWQZOC-RXMQYKEDSA-N
MW181.26 g/mol
LogP-1.31
Rot. Bonds5

About (1R)-1,5-diaminopentane-1-sulfonamide

(1R)-1,5-diaminopentane-1-sulfonamide (PubChem CID 87425398) has the molecular formula C5H15N3O2S and a molecular weight of 181.26 g/mol. Its IUPAC name is (1R)-1,5-diaminopentane-1-sulfonamide.

Molecular Properties

Compound Name(1R)-1,5-diaminopentane-1-sulfonamide
PubChem CID87425398
Molecular FormulaC5H15N3O2S
Molecular Weight181.26 g/mol
Exact Mass181.09
IUPAC Name(1R)-1,5-diaminopentane-1-sulfonamide
SMILESNCCCC[C@H](N)S(N)(=O)=O
InChIInChI=1S/C5H15N3O2S/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/t5-/m1/s1
InChIKeyMFDWKGBWNWQZOC-RXMQYKEDSA-N
XLogP-1.31
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium 1,4-diaminobutane-1-sulfonate
CID 175068866
sulfamoyl 2,6-diaminohexanoate
CID 139888563
pentacosane-1,13,25-triamine
CID 174653759
13-aminotridecane-2-sulfonic acid
CID 142636781
1-(4-methylphenyl)sulfonylhexane-1,6-diamine
CID 18353514
3,7-diaminoheptane-1-sulfonic acid
CID 175135376
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
CID 175094997
lithium (2S)-2,6-diaminohexanoate
CID 87930747
4-aminobutane-2-sulfonamide;hydrochloride
CID 170912790

Frequently Asked Questions

What is the IUPAC name of (1R)-1,5-diaminopentane-1-sulfonamide?
The IUPAC name of (1R)-1,5-diaminopentane-1-sulfonamide (CID 87425398) is (1R)-1,5-diaminopentane-1-sulfonamide.
What is the SMILES notation for (1R)-1,5-diaminopentane-1-sulfonamide?
The canonical SMILES for (1R)-1,5-diaminopentane-1-sulfonamide is NCCCC[C@H](N)S(N)(=O)=O.
What is the InChIKey of (1R)-1,5-diaminopentane-1-sulfonamide?
The InChIKey is MFDWKGBWNWQZOC-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H15N3O2S/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/t5-/m1/s1.
What are the key properties of (1R)-1,5-diaminopentane-1-sulfonamide?
(1R)-1,5-diaminopentane-1-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,5-diaminopentane-1-sulfonamide is sourced from PubChem (CID 87425398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).