2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid

C8H19N3O5S — CID 21128698

IUPAC2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid
SMILESNC(N)=NCCCC1CCCO1.O=S(=O)(O)O
InChIInChI=1S/C8H17N3O.H2O4S/c9-8(10)11-5-1-3-7-4-2-6-12-7;1-5(2,3)4/h7H,1-6H2,(H4,9,10,11);(H2,1,2,3,4)
InChIKeyWJHMAKKYNJPWCV-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.43
Rot. Bonds4

About 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid

2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid (PubChem CID 21128698) has the molecular formula C8H19N3O5S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid.

Molecular Properties

Compound Name2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid
PubChem CID21128698
Molecular FormulaC8H19N3O5S
Molecular Weight269.32 g/mol
Exact Mass269.10
IUPAC Name2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid
SMILESNC(N)=NCCCC1CCCO1.O=S(=O)(O)O
InChIInChI=1S/C8H17N3O.H2O4S/c9-8(10)11-5-1-3-7-4-2-6-12-7;1-5(2,3)4/h7H,1-6H2,(H4,9,10,11);(H2,1,2,3,4)
InChIKeyWJHMAKKYNJPWCV-UHFFFAOYSA-N
XLogP-0.43
TPSA148.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(oxolan-2-yl)pentanamide
CID 67128385
4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide
CID 110033267
N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
CID 106000913
1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
CID 115646806
N'-[2-(oxolan-2-yl)ethyl]butanimidamide
CID 63177994
N'-(oxolan-2-ylmethyl)-2-sulfanylethanimidamide;sulfurothioic O-acid
CID 21129019
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-octyl-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041837
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-[2-(oxolan-2-yl)ethylamino]pentanamide
CID 106237094
tert-butyl 4-[N'-[3-(oxan-2-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 110033289

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid?
The IUPAC name of 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid (CID 21128698) is 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid.
What is the SMILES notation for 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid?
The canonical SMILES for 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid is NC(N)=NCCCC1CCCO1.O=S(=O)(O)O.
What is the InChIKey of 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid?
The InChIKey is WJHMAKKYNJPWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.H2O4S/c9-8(10)11-5-1-3-7-4-2-6-12-7;1-5(2,3)4/h7H,1-6H2,(H4,9,10,11);(H2,1,2,3,4).
What are the key properties of 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid?
2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid has a molecular weight of 269.32 g/mol, XLogP of -0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid is sourced from PubChem (CID 21128698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).