3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide

C12H26N2O2S — CID 79357478

IUPAC3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H26N2O2S/c1-11(2)10(12(11,3)4)9-14-17(15,16)8-6-7-13-5/h10,13-14H,6-9H2,1-5H3
InChIKeyLENNKKWGUWLAHN-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.20
Rot. Bonds7

About 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide

3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide (PubChem CID 79357478) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide
PubChem CID79357478
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H26N2O2S/c1-11(2)10(12(11,3)4)9-14-17(15,16)8-6-7-13-5/h10,13-14H,6-9H2,1-5H3
InChIKeyLENNKKWGUWLAHN-UHFFFAOYSA-N
XLogP1.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-N-(thian-4-ylmethyl)propane-1-sulfonamide
CID 106078594
N-(1,4-dithian-2-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106078430
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
N-[2-(diethylamino)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106034847
N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 114096531
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088420
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide
CID 114114593
lithium 3-(methylamino)propane-1-sulfonate
CID 118522959
3-(2-chloroethylsulfonyl)-N-methylpropan-1-amine
CID 19078105
1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
CID 79350234
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106091903

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide (CID 79357478) is 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide is CNCCCS(=O)(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide?
The InChIKey is LENNKKWGUWLAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)10(12(11,3)4)9-14-17(15,16)8-6-7-13-5/h10,13-14H,6-9H2,1-5H3.
What are the key properties of 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide?
3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 79357478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).