N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide

C12H24N2O2S — CID 114096531

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-13-8-2-3-9-17(15,16)14-10-12(6-7-12)11-4-5-11/h11,13-14H,2-10H2,1H3
InChIKeyCLOJRRYJMNUIRQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.10
Rot. Bonds9

About N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide

N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide (PubChem CID 114096531) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide
PubChem CID114096531
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-13-8-2-3-9-17(15,16)14-10-12(6-7-12)11-4-5-11/h11,13-14H,2-10H2,1H3
InChIKeyCLOJRRYJMNUIRQ-UHFFFAOYSA-N
XLogP1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.10
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

4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide
CID 114114593
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088420
4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 106082653
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide
CID 79357478
N-(2,2-dimethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141661
N-(1-cyclopentylethyl)-4-(methylamino)butane-1-sulfonamide
CID 106066011
3-(methylamino)-N-(thian-4-ylmethyl)propane-1-sulfonamide
CID 106078594
4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
CID 106073825
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
CID 106086184

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide (CID 114096531) is N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)NCC1(C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide?
The InChIKey is CLOJRRYJMNUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-13-8-2-3-9-17(15,16)14-10-12(6-7-12)11-4-5-11/h11,13-14H,2-10H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide?
N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 114096531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).