N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine

C10H19NO2S — CID 106221548

IUPACN-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
SMILESC#CCCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H19NO2S/c1-4-5-6-7-11-8-9-14(12,13)10(2)3/h1,10-11H,5-9H2,2-3H3
InChIKeyKEPOJQDAVAXRDE-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.81
Rot. Bonds7

About N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine

N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine (PubChem CID 106221548) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
PubChem CID106221548
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
SMILESC#CCCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H19NO2S/c1-4-5-6-7-11-8-9-14(12,13)10(2)3/h1,10-11H,5-9H2,2-3H3
InChIKeyKEPOJQDAVAXRDE-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 106723973
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
N-methyl-N'-pent-4-ynylpropane-1,3-diamine
CID 59962672
N-(methylsulfamoyl)pent-4-yn-1-amine
CID 106223287

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine (CID 106221548) is N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine is C#CCCCNCCS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine?
The InChIKey is KEPOJQDAVAXRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-5-6-7-11-8-9-14(12,13)10(2)3/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine?
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine has a molecular weight of 217.33 g/mol, XLogP of 0.81, 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-yn-1-amine is sourced from PubChem (CID 106221548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).