N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine

C13H27NO2S — CID 114125061

IUPACN-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
SMILESCCC1(CNCCS(=O)(=O)C(C)C)CCCC1
InChIInChI=1S/C13H27NO2S/c1-4-13(7-5-6-8-13)11-14-9-10-17(15,16)12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyUSKWXBMZZXNWBJ-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds7

About N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine

N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine (PubChem CID 114125061) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
PubChem CID114125061
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
SMILESCCC1(CNCCS(=O)(=O)C(C)C)CCCC1
InChIInChI=1S/C13H27NO2S/c1-4-13(7-5-6-8-13)11-14-9-10-17(15,16)12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyUSKWXBMZZXNWBJ-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
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-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106729871
2-methoxy-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]ethanamine
CID 106730051
2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 114108013
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106730047
1-methyl-N-(2-propan-2-ylsulfonylethyl)cyclobutan-1-amine
CID 106724457
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
N-[(3-methyloxetan-3-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106724002
1-ethyl-1-[(sulfamoylamino)methyl]cyclopentane
CID 71918763
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
CID 106100386
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine (CID 114125061) is N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine is CCC1(CNCCS(=O)(=O)C(C)C)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine?
The InChIKey is USKWXBMZZXNWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-13(7-5-6-8-13)11-14-9-10-17(15,16)12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine?
N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine is sourced from PubChem (CID 114125061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).