N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine

C8H16N2OS — CID 164644447

IUPACN-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine
SMILES[H]N=S(=O)(N(C)CC#C)C(C)(C)C
InChIInChI=1S/C8H16N2OS/c1-6-7-10(5)12(9,11)8(2,3)4/h1,9H,7H2,2-5H3
InChIKeyKEDHZNQKZVQBBM-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.31
Rot. Bonds2

About N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine

N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine (PubChem CID 164644447) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine
PubChem CID164644447
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine
SMILES[H]N=S(=O)(N(C)CC#C)C(C)(C)C
InChIInChI=1S/C8H16N2OS/c1-6-7-10(5)12(9,11)8(2,3)4/h1,9H,7H2,2-5H3
InChIKeyKEDHZNQKZVQBBM-UHFFFAOYSA-N
XLogP1.31
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide
CID 143377491
N-(tert-butylsulfonimidoyl)-N,2-dimethylpropan-2-amine
CID 164656002
N-acetyl-N-prop-2-ynylacetamide
CID 14025452
CID 58544189
CID 58544189
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 82885260
1-(3-fluoro-4-methylphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837750
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579
5-fluoro-N-methyl-2-(propylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 102920924
1-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837751
N-ethyl-N-prop-2-ynylpropane-2-sulfonamide
CID 78970102
N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine
CID 163672798
2,2-dimethylpropyl(prop-2-ynyl)carbamic acid
CID 130449168

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine?
The IUPAC name of N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine (CID 164644447) is N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine is [H]N=S(=O)(N(C)CC#C)C(C)(C)C.
What is the InChIKey of N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine?
The InChIKey is KEDHZNQKZVQBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6-7-10(5)12(9,11)8(2,3)4/h1,9H,7H2,2-5H3.
What are the key properties of N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine?
N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine has a molecular weight of 188.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 164644447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).