N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine

C10H21NO2S — CID 106724402

IUPACN-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine
SMILESC=CCC(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO2S/c1-5-6-10(4)11-7-8-14(12,13)9(2)3/h5,9-11H,1,6-8H2,2-4H3
InChIKeyLEKYYPLCBNJEHC-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds7

About N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine

N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine (PubChem CID 106724402) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine
PubChem CID106724402
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine
SMILESC=CCC(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO2S/c1-5-6-10(4)11-7-8-14(12,13)9(2)3/h5,9-11H,1,6-8H2,2-4H3
InChIKeyLEKYYPLCBNJEHC-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106724509
1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
CID 106723563
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
N-pent-4-en-2-ylpentan-1-amine;hydrochloride
CID 155386341
3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 104578148
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 106731016
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
CID 106727471
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine (CID 106724402) is N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine is C=CCC(C)NCCS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine?
The InChIKey is LEKYYPLCBNJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-6-10(4)11-7-8-14(12,13)9(2)3/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine?
N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine has a molecular weight of 219.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine is sourced from PubChem (CID 106724402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).