N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide

C7H15N5O3S — CID 106332569

IUPACN-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1nnc(CN)o1
InChIInChI=1S/C7H15N5O3S/c1-16(13,14)10-4-2-3-9-7-12-11-6(5-8)15-7/h10H,2-5,8H2,1H3,(H,9,12)
InChIKeyWXRKAERGJBOIHN-UHFFFAOYSA-N
MW249.30 g/mol
LogP-1.12
Rot. Bonds7

About N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide

N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide (PubChem CID 106332569) has the molecular formula C7H15N5O3S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide
PubChem CID106332569
Molecular FormulaC7H15N5O3S
Molecular Weight249.30 g/mol
Exact Mass249.09
IUPAC NameN-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1nnc(CN)o1
InChIInChI=1S/C7H15N5O3S/c1-16(13,14)10-4-2-3-9-7-12-11-6(5-8)15-7/h10H,2-5,8H2,1H3,(H,9,12)
InChIKeyWXRKAERGJBOIHN-UHFFFAOYSA-N
XLogP-1.12
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106956708
N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106969158
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
CID 114176109
N-(3-aminopropyl)methanesulfonamide
CID 18350602
2-[3-(methanesulfonamido)propylamino]-1,3-oxazole-4-carboxylic acid
CID 106339812
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964958
5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine
CID 137341427
N-[3-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332303
2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106969077
6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide
CID 113246651
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carbothioamide
CID 106339028
3-(methanesulfonamido)propylthiourea
CID 106335651

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide (CID 106332569) is N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1nnc(CN)o1.
What is the InChIKey of N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide?
The InChIKey is WXRKAERGJBOIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O3S/c1-16(13,14)10-4-2-3-9-7-12-11-6(5-8)15-7/h10H,2-5,8H2,1H3,(H,9,12).
What are the key properties of N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide?
N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide has a molecular weight of 249.30 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).