N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine

C12H25NO2S — CID 106730080

IUPACN-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(CCS(=O)(=O)CCC)CC1
InChIInChI=1S/C12H25NO2S/c1-3-8-13-11-12(5-6-12)7-10-16(14,15)9-4-2/h13H,3-11H2,1-2H3
InChIKeyAJZXGRBZDRZZJZ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds9

About N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine

N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 106730080) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID106730080
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(CCS(=O)(=O)CCC)CC1
InChIInChI=1S/C12H25NO2S/c1-3-8-13-11-12(5-6-12)7-10-16(14,15)9-4-2/h13H,3-11H2,1-2H3
InChIKeyAJZXGRBZDRZZJZ-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 66024011
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106730002
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol
CID 106723861
N-[[1-(trimethylsilylmethyl)cyclopropyl]methyl]propan-1-amine
CID 106323691
[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol
CID 106734295
1-propylsulfonylpropane
CID 11709
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine (CID 106730080) is N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1(CCS(=O)(=O)CCC)CC1.
What is the InChIKey of N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is AJZXGRBZDRZZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-8-13-11-12(5-6-12)7-10-16(14,15)9-4-2/h13H,3-11H2,1-2H3.
What are the key properties of N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine?
N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 106730080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).