N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide

C6H12N4O2S2 — CID 43664088

IUPACN-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1csnn1
InChIInChI=1S/C6H12N4O2S2/c1-14(11,12)8-3-2-7-4-6-5-13-10-9-6/h5,7-8H,2-4H2,1H3
InChIKeyNXRWOAUGRUZBBI-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.82
Rot. Bonds6

About N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide

N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide (PubChem CID 43664088) has the molecular formula C6H12N4O2S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide
PubChem CID43664088
Molecular FormulaC6H12N4O2S2
Molecular Weight236.32 g/mol
Exact Mass236.04
IUPAC NameN-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1csnn1
InChIInChI=1S/C6H12N4O2S2/c1-14(11,12)8-3-2-7-4-6-5-13-10-9-6/h5,7-8H,2-4H2,1H3
InChIKeyNXRWOAUGRUZBBI-UHFFFAOYSA-N
XLogP-0.82
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide
CID 86785240
3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 115908278
1-Methyl-3-[2-(thiadiazol-4-ylmethylamino)ethyl]thiourea
CID 20557888
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
N'-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 60888547
N-(thiadiazol-4-ylmethyl)methanesulfonamide
CID 130901499
N-(1,2,3-thiadiazol-4-ylmethyl)cyclopropanamine
CID 43663774
N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 43663776
N-methyl-1-(thiadiazol-4-yl)methanamine
CID 43663777
Tert-butyl(1,2,3-thiadiazol-4-ylmethyl)amine
CID 43663779
Propyl(1,2,3-thiadiazol-4-ylmethyl)amine
CID 43663780
N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine
CID 43663785

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide (CID 43664088) is N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1csnn1.
What is the InChIKey of N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide?
The InChIKey is NXRWOAUGRUZBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S2/c1-14(11,12)8-3-2-7-4-6-5-13-10-9-6/h5,7-8H,2-4H2,1H3.
What are the key properties of N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide?
N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide has a molecular weight of 236.32 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43664088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).