1-(tert-butylsulfamoylamino)propan-2-ol

C7H18N2O3S — CID 104538434

IUPAC1-(tert-butylsulfamoylamino)propan-2-ol
SMILESCC(O)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H18N2O3S/c1-6(10)5-8-13(11,12)9-7(2,3)4/h6,8-10H,5H2,1-4H3
InChIKeyPXBSJHLCPJBDEB-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.41
Rot. Bonds4

About 1-(tert-butylsulfamoylamino)propan-2-ol

1-(tert-butylsulfamoylamino)propan-2-ol (PubChem CID 104538434) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(tert-butylsulfamoylamino)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylsulfamoylamino)propan-2-ol
PubChem CID104538434
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name1-(tert-butylsulfamoylamino)propan-2-ol
SMILESCC(O)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H18N2O3S/c1-6(10)5-8-13(11,12)9-7(2,3)4/h6,8-10H,5H2,1-4H3
InChIKeyPXBSJHLCPJBDEB-UHFFFAOYSA-N
XLogP-0.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978430
N'-(tert-butylsulfamoyl)-N-methylmethanediamine
CID 117126162
4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
CID 107835294
N-(2-bromoprop-2-enylsulfamoyl)-2-methylpropan-2-amine
CID 114807251
N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132
2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
CID 106253301
5-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoylamino)propan-2-ol?
The IUPAC name of 1-(tert-butylsulfamoylamino)propan-2-ol (CID 104538434) is 1-(tert-butylsulfamoylamino)propan-2-ol.
What is the SMILES notation for 1-(tert-butylsulfamoylamino)propan-2-ol?
The canonical SMILES for 1-(tert-butylsulfamoylamino)propan-2-ol is CC(O)CNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylsulfamoylamino)propan-2-ol?
The InChIKey is PXBSJHLCPJBDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-6(10)5-8-13(11,12)9-7(2,3)4/h6,8-10H,5H2,1-4H3.
What are the key properties of 1-(tert-butylsulfamoylamino)propan-2-ol?
1-(tert-butylsulfamoylamino)propan-2-ol has a molecular weight of 210.30 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoylamino)propan-2-ol is sourced from PubChem (CID 104538434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).