N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide

C9H20N2O2S — CID 178076415

IUPACN-[3-(methylamino)cyclobutyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CC(NC)C1
InChIInChI=1S/C9H20N2O2S/c1-3-4-5-14(12,13)11-9-6-8(7-9)10-2/h8-11H,3-7H2,1-2H3
InChIKeyUMPWGISPWHSLQZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.46
Rot. Bonds6

About N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide

N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide (PubChem CID 178076415) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(methylamino)cyclobutyl]butane-1-sulfonamide
PubChem CID178076415
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[3-(methylamino)cyclobutyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CC(NC)C1
InChIInChI=1S/C9H20N2O2S/c1-3-4-5-14(12,13)11-9-6-8(7-9)10-2/h8-11H,3-7H2,1-2H3
InChIKeyUMPWGISPWHSLQZ-UHFFFAOYSA-N
XLogP0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
N-cyclopropylhexane-1-sulfonamide
CID 67119181
N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
CID 22772688
N-methylbutane-1-sulfonamide;hydrochloride
CID 141278218
N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 114632207
4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide
CID 141098602
N-(2,2,6,6-tetramethylpiperidin-4-yl)dodecane-1-sulfonamide
CID 20789888
1-butylsulfonyl-N-methylazetidin-3-amine
CID 91812394
N-[6-(trifluoromethyl)piperidin-3-yl]butane-1-sulfonamide
CID 82812636
lithium butylsulfonylazanide
CID 141349237
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide?
The IUPAC name of N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide (CID 178076415) is N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CC(NC)C1.
What is the InChIKey of N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide?
The InChIKey is UMPWGISPWHSLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-4-5-14(12,13)11-9-6-8(7-9)10-2/h8-11H,3-7H2,1-2H3.
What are the key properties of N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide?
N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide is sourced from PubChem (CID 178076415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).