1-(3-ethylsulfonylpropyl)cyclopropan-1-amine

C8H17NO2S — CID 66024875

IUPAC1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CC1
InChIInChI=1S/C8H17NO2S/c1-2-12(10,11)7-3-4-8(9)5-6-8/h2-7,9H2,1H3
InChIKeyMMXQYDDNGXZZPQ-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.69
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine

1-(3-ethylsulfonylpropyl)cyclopropan-1-amine (PubChem CID 66024875) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
PubChem CID66024875
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CC1
InChIInChI=1S/C8H17NO2S/c1-2-12(10,11)7-3-4-8(9)5-6-8/h2-7,9H2,1H3
InChIKeyMMXQYDDNGXZZPQ-UHFFFAOYSA-N
XLogP0.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
1-pentylcyclopropan-1-amine
CID 66023547
2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65098207
1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 65421379
1-decylcyclopropan-1-amine
CID 66023987
4-ethyl-1-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65082935
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
CID 113420901
1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
CID 65194813
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine (CID 66024875) is 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine is CCS(=O)(=O)CCCC1(N)CC1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine?
The InChIKey is MMXQYDDNGXZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-12(10,11)7-3-4-8(9)5-6-8/h2-7,9H2,1H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine?
1-(3-ethylsulfonylpropyl)cyclopropan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 66024875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).