4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine

C10H21NO2S — CID 115848542

IUPAC4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine
SMILESCNC(CCS(C)(=O)=O)C(C)C1CC1
InChIInChI=1S/C10H21NO2S/c1-8(9-4-5-9)10(11-2)6-7-14(3,12)13/h8-11H,4-7H2,1-3H3
InChIKeyIEYLFKRDCHBXND-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.06
Rot. Bonds6

About 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine

4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine (PubChem CID 115848542) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine
PubChem CID115848542
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine
SMILESCNC(CCS(C)(=O)=O)C(C)C1CC1
InChIInChI=1S/C10H21NO2S/c1-8(9-4-5-9)10(11-2)6-7-14(3,12)13/h8-11H,4-7H2,1-3H3
InChIKeyIEYLFKRDCHBXND-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
4-(methylsulfonylmethyl)-N-(2,3,3-trimethylbutan-2-yl)cyclohexan-1-amine
CID 58297179
Methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride
CID 58734095
1-(methylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 59677647
2-ethyl-N-(3-methylsulfonylpropyl)hexan-1-amine
CID 60069675
4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60719554
N-ethyl-4-(methylsulfonylmethyl)cyclohexan-1-amine
CID 70830744
N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine
CID 91543748
N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 118178441
4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine
CID 123658262
N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine
CID 130735918
N-[[(3S)-2-methyl-3-[1-(methylamino)ethyl]cyclopropyl]methyl]ethanesulfonamide
CID 135191220

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine?
The IUPAC name of 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine (CID 115848542) is 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine.
What is the SMILES notation for 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine?
The canonical SMILES for 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine is CNC(CCS(C)(=O)=O)C(C)C1CC1.
What is the InChIKey of 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine?
The InChIKey is IEYLFKRDCHBXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(9-4-5-9)10(11-2)6-7-14(3,12)13/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine?
4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine is sourced from PubChem (CID 115848542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).