2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine

C10H19NO2S — CID 106512947

IUPAC2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H19NO2S/c1-5-6-11-7-10(4)14(12,13)8-9(2)3/h1,9-11H,6-8H2,2-4H3
InChIKeyLBOVQEOOBJLTPM-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.67
Rot. Bonds6

About 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine

2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine (PubChem CID 106512947) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine
PubChem CID106512947
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H19NO2S/c1-5-6-11-7-10(4)14(12,13)8-9(2)3/h1,9-11H,6-8H2,2-4H3
InChIKeyLBOVQEOOBJLTPM-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.67
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-pentylsulfonyl-N-prop-2-ynylpropan-1-amine
CID 107757199
2-(3-methylbutan-2-ylsulfonyl)-N-prop-2-ynylpropan-1-amine
CID 107757415
N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine
CID 106512934
2,3-dimethyl-N-prop-2-ynylbutan-1-amine
CID 64568255
1-(diiodomethylsulfonyl)-2-methylpropane
CID 21439589
1-(prop-2-ynylamino)butan-2-ol
CID 60885196
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306
N-ethyl-2-[1-(2-methylpropylamino)propan-2-ylsulfonyl]acetamide
CID 114232530
2-(3-methylsulfonylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62582874
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine (CID 106512947) is 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)S(=O)(=O)CC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine?
The InChIKey is LBOVQEOOBJLTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-6-11-7-10(4)14(12,13)8-9(2)3/h1,9-11H,6-8H2,2-4H3.
What are the key properties of 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine?
2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 106512947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).