N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide

C14H28N2O2S — CID 106058802

IUPACN-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C14H28N2O2S/c1-12(11-15-13-9-10-13)19(17,18)16-14-7-5-3-2-4-6-8-14/h12-16H,2-11H2,1H3
InChIKeyQFOGTJPLPJKQSU-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.16
Rot. Bonds6

About N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide

N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide (PubChem CID 106058802) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
PubChem CID106058802
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C14H28N2O2S/c1-12(11-15-13-9-10-13)19(17,18)16-14-7-5-3-2-4-6-8-14/h12-16H,2-11H2,1H3
InChIKeyQFOGTJPLPJKQSU-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
CID 106065916
N-cyclohexylbutane-2-sulfonamide
CID 59716186
N-cyclodecylpropane-2-sulfonamide
CID 131977128
1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 106052302
1-(cyclopropylamino)-N-piperidin-1-ylpropane-2-sulfonamide
CID 106075218
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065267
1-(cyclopropylamino)-N-(1-cyclopropylpropan-2-yl)propane-2-sulfonamide
CID 106065688
1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
CID 106079574
1-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]propane-2-sulfonamide
CID 106074303
1-N-cyclohexyl-2-N-cyclopropylpropane-1,2-diamine
CID 62568486
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide?
The IUPAC name of N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide (CID 106058802) is N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide.
What is the SMILES notation for N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide?
The canonical SMILES for N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide?
The InChIKey is QFOGTJPLPJKQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(11-15-13-9-10-13)19(17,18)16-14-7-5-3-2-4-6-8-14/h12-16H,2-11H2,1H3.
What are the key properties of N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide?
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide is sourced from PubChem (CID 106058802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).