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

C10H21NO2S — CID 66024011

IUPACN-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(CCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-3-7-11-9-10(4-5-10)6-8-14(2,12)13/h11H,3-9H2,1-2H3
InChIKeyOZGZKIDGYGNXAK-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds7

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

N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 66024011) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID66024011
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(CCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-3-7-11-9-10(4-5-10)6-8-14(2,12)13/h11H,3-9H2,1-2H3
InChIKeyOZGZKIDGYGNXAK-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
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-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 106730080
N-[[3-(3-methylsulfonylpropyl)-1,1-dioxothiolan-3-yl]methyl]propan-1-amine
CID 55163918
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
2-methoxy-N-[[4-(2-methylsulfonylethyl)oxan-4-yl]methyl]ethanamine
CID 62905763
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474
N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 79843903
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
CID 63195650
N-[[1-(trimethylsilylmethyl)cyclopropyl]methyl]propan-1-amine
CID 106323691

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine (CID 66024011) is N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1(CCS(C)(=O)=O)CC1.
What is the InChIKey of N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is OZGZKIDGYGNXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-7-11-9-10(4-5-10)6-8-14(2,12)13/h11H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine?
N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 66024011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).