3-(methanesulfonamido)propylthiourea

C5H13N3O2S2 — CID 106335651

IUPAC3-(methanesulfonamido)propylthiourea
SMILESCS(=O)(=O)NCCCNC(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-12(9,10)8-4-2-3-7-5(6)11/h8H,2-4H2,1H3,(H3,6,7,11)
InChIKeySQCCUVDVMIJNFS-UHFFFAOYSA-N
MW211.31 g/mol
LogP-1.24
Rot. Bonds5

About 3-(methanesulfonamido)propylthiourea

3-(methanesulfonamido)propylthiourea (PubChem CID 106335651) has the molecular formula C5H13N3O2S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(methanesulfonamido)propylthiourea.

Molecular Properties

Compound Name3-(methanesulfonamido)propylthiourea
PubChem CID106335651
Molecular FormulaC5H13N3O2S2
Molecular Weight211.31 g/mol
Exact Mass211.04
IUPAC Name3-(methanesulfonamido)propylthiourea
SMILESCS(=O)(=O)NCCCNC(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-12(9,10)8-4-2-3-7-5(6)11/h8H,2-4H2,1H3,(H3,6,7,11)
InChIKeySQCCUVDVMIJNFS-UHFFFAOYSA-N
XLogP-1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(methanesulfonamido)propylthiourea 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

N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
N-(3-aminopropyl)methanesulfonamide
CID 18350602
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
CID 103795309
2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide
CID 106341703
methane;N-[3-(methylamino)propyl]methanesulfonamide
CID 157130304
(2R)-4-amino-2-[3-(methanesulfonamido)propylcarbamoylamino]-4-oxobutanoic acid
CID 106340374
2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide
CID 113266277
1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290733
N-(3-aminopropyl)methanesulfonamide;tert-butyl N-[3-(methanesulfonamido)propyl]carbamate
CID 157413343

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)propylthiourea?
The IUPAC name of 3-(methanesulfonamido)propylthiourea (CID 106335651) is 3-(methanesulfonamido)propylthiourea.
What is the SMILES notation for 3-(methanesulfonamido)propylthiourea?
The canonical SMILES for 3-(methanesulfonamido)propylthiourea is CS(=O)(=O)NCCCNC(N)=S.
What is the InChIKey of 3-(methanesulfonamido)propylthiourea?
The InChIKey is SQCCUVDVMIJNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S2/c1-12(9,10)8-4-2-3-7-5(6)11/h8H,2-4H2,1H3,(H3,6,7,11).
What are the key properties of 3-(methanesulfonamido)propylthiourea?
3-(methanesulfonamido)propylthiourea has a molecular weight of 211.31 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)propylthiourea is sourced from PubChem (CID 106335651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).