N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide

C6H14N2O3S2 — CID 106340083

IUPACN-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
SMILESCS(=O)(=O)NCCCNC(=O)CS
InChIInChI=1S/C6H14N2O3S2/c1-13(10,11)8-4-2-3-7-6(9)5-12/h8,12H,2-5H2,1H3,(H,7,9)
InChIKeySUJRHHHMMIWTNK-UHFFFAOYSA-N
MW226.32 g/mol
LogP-1.03
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide

N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide (PubChem CID 106340083) has the molecular formula C6H14N2O3S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
PubChem CID106340083
Molecular FormulaC6H14N2O3S2
Molecular Weight226.32 g/mol
Exact Mass226.04
IUPAC NameN-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
SMILESCS(=O)(=O)NCCCNC(=O)CS
InChIInChI=1S/C6H14N2O3S2/c1-13(10,11)8-4-2-3-7-6(9)5-12/h8,12H,2-5H2,1H3,(H,7,9)
InChIKeySUJRHHHMMIWTNK-UHFFFAOYSA-N
XLogP-1.03
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methanesulfonamido)propylthiourea
CID 106335651
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
N-butyl-2-sulfanylacetamide;propane
CID 153354639
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845
N-(3-aminopropyl)-2-sulfanylacetamide;ethane
CID 143545848
6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
CID 106340011
3-[2-(methanesulfonamido)ethylamino]-3-oxopropanoic acid
CID 62230209
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide
CID 106336507
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
CID 103795309

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide (CID 106340083) is N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide is CS(=O)(=O)NCCCNC(=O)CS.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide?
The InChIKey is SUJRHHHMMIWTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S2/c1-13(10,11)8-4-2-3-7-6(9)5-12/h8,12H,2-5H2,1H3,(H,7,9).
What are the key properties of N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide?
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide has a molecular weight of 226.32 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide is sourced from PubChem (CID 106340083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).