4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide

C10H22N2O2S2 — CID 106081409

IUPAC4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NC1CCCSC1
InChIInChI=1S/C10H22N2O2S2/c1-11-6-2-3-8-16(13,14)12-10-5-4-7-15-9-10/h10-12H,2-9H2,1H3
InChIKeyDJJWATQYUBKXTG-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.80
Rot. Bonds7

About 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide

4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide (PubChem CID 106081409) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide
PubChem CID106081409
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NC1CCCSC1
InChIInChI=1S/C10H22N2O2S2/c1-11-6-2-3-8-16(13,14)12-10-5-4-7-15-9-10/h10-12H,2-9H2,1H3
InChIKeyDJJWATQYUBKXTG-UHFFFAOYSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
CID 106086184
3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 103063616
N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141536
thian-3-ylsulfamic acid
CID 14594130
N-(2,2-dimethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141661
N-(1-cyclopentylethyl)-4-(methylamino)butane-1-sulfonamide
CID 106066011
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
CID 106081577
N-methylthian-3-amine;hydrochloride
CID 86811695
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide (CID 106081409) is 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide is CNCCCCS(=O)(=O)NC1CCCSC1.
What is the InChIKey of 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide?
The InChIKey is DJJWATQYUBKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-11-6-2-3-8-16(13,14)12-10-5-4-7-15-9-10/h10-12H,2-9H2,1H3.
What are the key properties of 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide?
4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide has a molecular weight of 266.43 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 106081409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).