4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide

C12H26N2O2S — CID 114114593

IUPAC4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)12(6-7-12)10-14-17(15,16)9-5-4-8-13-3/h11,13-14H,4-10H2,1-3H3
InChIKeyKWIMYPCQFFUSAM-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.34
Rot. Bonds9

About 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide

4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide (PubChem CID 114114593) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide
PubChem CID114114593
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)12(6-7-12)10-14-17(15,16)9-5-4-8-13-3/h11,13-14H,4-10H2,1-3H3
InChIKeyKWIMYPCQFFUSAM-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.34
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

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
N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
CID 106050688
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106088421
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
N-(1-cyclopentylethyl)-4-(methylamino)butane-1-sulfonamide
CID 106066011
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide
CID 79357478
4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 106082653
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide (CID 114114593) is 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide is CNCCCCS(=O)(=O)NCC1(C(C)C)CC1.
What is the InChIKey of 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide?
The InChIKey is KWIMYPCQFFUSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)12(6-7-12)10-14-17(15,16)9-5-4-8-13-3/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide?
4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 114114593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).