2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine

C11H21NO2S — CID 107757199

IUPAC2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)S(=O)(=O)CCCCC
InChIInChI=1S/C11H21NO2S/c1-4-6-7-9-15(13,14)11(3)10-12-8-5-2/h2,11-12H,4,6-10H2,1,3H3
InChIKeyUQPAEUBLUHDQOT-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.20
Rot. Bonds8

About 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine

2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine (PubChem CID 107757199) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine
PubChem CID107757199
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)S(=O)(=O)CCCCC
InChIInChI=1S/C11H21NO2S/c1-4-6-7-9-15(13,14)11(3)10-12-8-5-2/h2,11-12H,4,6-10H2,1,3H3
InChIKeyUQPAEUBLUHDQOT-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.20
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

2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine
CID 106512947
1-butan-2-ylsulfonylpentane
CID 159645630
3-pentylsulfonylbutanenitrile
CID 107766802
2-(3-methylbutan-2-ylsulfonyl)-N-prop-2-ynylpropan-1-amine
CID 107757415
N-(2-pentylsulfonylpropyl)aniline
CID 107757153
N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
CID 106513193
1-propan-2-ylsulfonylhexane
CID 59079246
3-pentylsulfonylbutan-2-amine
CID 107758703
2-hexoxy-N-prop-2-ynylpropan-1-amine
CID 62599532
N-(2-butan-2-ylsulfonylethyl)pentan-1-amine
CID 106512745
2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 106512524
2-octylsulfonylpropylbenzene
CID 154336475

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine (CID 107757199) is 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)S(=O)(=O)CCCCC.
What is the InChIKey of 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine?
The InChIKey is UQPAEUBLUHDQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-6-7-9-15(13,14)11(3)10-12-8-5-2/h2,11-12H,4,6-10H2,1,3H3.
What are the key properties of 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine?
2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 107757199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).