2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine

C10H21NO2S — CID 115663153

IUPAC2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
SMILESCCS(=O)(=O)CCNCC(C)C1CC1
InChIInChI=1S/C10H21NO2S/c1-3-14(12,13)7-6-11-8-9(2)10-4-5-10/h9-11H,3-8H2,1-2H3
InChIKeyVFNSEXSSQZCLTB-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.06
Rot. Bonds7

About 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine

2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine (PubChem CID 115663153) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
PubChem CID115663153
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
SMILESCCS(=O)(=O)CCNCC(C)C1CC1
InChIInChI=1S/C10H21NO2S/c1-3-14(12,13)7-6-11-8-9(2)10-4-5-10/h9-11H,3-8H2,1-2H3
InChIKeyVFNSEXSSQZCLTB-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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-(2-cyclopropylpropyl)-3-methylbutan-1-amine
CID 115592627
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115592628
3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide
CID 106174934
2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine
CID 106724468
N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
CID 106010216
1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
CID 115766849
2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106723768
4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
CID 106121689
2-[4-(3,4-difluorocyclohexyl)cyclohexyl]-N-propylpropan-1-amine
CID 142172211
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine (CID 115663153) is 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine is CCS(=O)(=O)CCNCC(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine?
The InChIKey is VFNSEXSSQZCLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-14(12,13)7-6-11-8-9(2)10-4-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine?
2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 115663153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).