1-methyl-3-propyl-1-sulfanylurea

C5H12N2OS — CID 56993771

IUPAC1-methyl-3-propyl-1-sulfanylurea
SMILESCCCNC(=O)N(C)S
InChIInChI=1S/C5H12N2OS/c1-3-4-6-5(8)7(2)9/h9H,3-4H2,1-2H3,(H,6,8)
InChIKeySXIOXNSZUDEVCF-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.88
Rot. Bonds2

About 1-methyl-3-propyl-1-sulfanylurea

1-methyl-3-propyl-1-sulfanylurea (PubChem CID 56993771) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-methyl-3-propyl-1-sulfanylurea.

Molecular Properties

Compound Name1-methyl-3-propyl-1-sulfanylurea
PubChem CID56993771
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-methyl-3-propyl-1-sulfanylurea
SMILESCCCNC(=O)N(C)S
InChIInChI=1S/C5H12N2OS/c1-3-4-6-5(8)7(2)9/h9H,3-4H2,1-2H3,(H,6,8)
InChIKeySXIOXNSZUDEVCF-UHFFFAOYSA-N
XLogP0.88
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-methyl-3-propyl-1-sulfanylurea 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

3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea
CID 88764486
1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477
bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea
CID 88765209
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
CID 88981943
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
1-(1-cyanopropan-2-yl)-1-methyl-3-propylurea
CID 63224450
1-propan-2-yl-1-prop-2-enyl-3-propylurea
CID 115585837

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-1-sulfanylurea?
The IUPAC name of 1-methyl-3-propyl-1-sulfanylurea (CID 56993771) is 1-methyl-3-propyl-1-sulfanylurea.
What is the SMILES notation for 1-methyl-3-propyl-1-sulfanylurea?
The canonical SMILES for 1-methyl-3-propyl-1-sulfanylurea is CCCNC(=O)N(C)S.
What is the InChIKey of 1-methyl-3-propyl-1-sulfanylurea?
The InChIKey is SXIOXNSZUDEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-3-4-6-5(8)7(2)9/h9H,3-4H2,1-2H3,(H,6,8).
What are the key properties of 1-methyl-3-propyl-1-sulfanylurea?
1-methyl-3-propyl-1-sulfanylurea has a molecular weight of 148.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-1-sulfanylurea is sourced from PubChem (CID 56993771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).