N-(tert-butylsulfamoyl)pent-4-yn-1-amine

C9H18N2O2S — CID 106223279

IUPACN-(tert-butylsulfamoyl)pent-4-yn-1-amine
SMILESC#CCCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O2S/c1-5-6-7-8-10-14(12,13)11-9(2,3)4/h1,10-11H,6-8H2,2-4H3
InChIKeyWVAASBQDCYVVKR-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.62
Rot. Bonds5

About N-(tert-butylsulfamoyl)pent-4-yn-1-amine

N-(tert-butylsulfamoyl)pent-4-yn-1-amine (PubChem CID 106223279) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)pent-4-yn-1-amine
PubChem CID106223279
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(tert-butylsulfamoyl)pent-4-yn-1-amine
SMILESC#CCCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O2S/c1-5-6-7-8-10-14(12,13)11-9(2,3)4/h1,10-11H,6-8H2,2-4H3
InChIKeyWVAASBQDCYVVKR-UHFFFAOYSA-N
XLogP0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(methylsulfamoyl)pent-4-yn-1-amine
CID 106223287
5-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938
N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
CID 106223265
N-(tert-butylsulfamoyl)pent-3-yn-1-amine
CID 114812605
3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
CID 103698152
N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641
N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
CID 106210034
1-chloro-N-pent-4-ynylmethanesulfonamide
CID 106223218
N'-(tert-butylsulfamoyl)-N-methylmethanediamine
CID 117126162
1-tert-butyl-3-pent-4-ynylurea
CID 103753240
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
N-ethylpent-4-yn-1-amine
CID 12615597

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)pent-4-yn-1-amine?
The IUPAC name of N-(tert-butylsulfamoyl)pent-4-yn-1-amine (CID 106223279) is N-(tert-butylsulfamoyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(tert-butylsulfamoyl)pent-4-yn-1-amine?
The canonical SMILES for N-(tert-butylsulfamoyl)pent-4-yn-1-amine is C#CCCCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylsulfamoyl)pent-4-yn-1-amine?
The InChIKey is WVAASBQDCYVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-5-6-7-8-10-14(12,13)11-9(2,3)4/h1,10-11H,6-8H2,2-4H3.
What are the key properties of N-(tert-butylsulfamoyl)pent-4-yn-1-amine?
N-(tert-butylsulfamoyl)pent-4-yn-1-amine has a molecular weight of 218.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)pent-4-yn-1-amine is sourced from PubChem (CID 106223279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).