[1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol

C9H20N2O3S — CID 114809734

IUPAC[1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol
SMILESCC(C)(C)NS(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C9H20N2O3S/c1-8(2,3)11-15(13,14)10-6-9(7-12)4-5-9/h10-12H,4-7H2,1-3H3
InChIKeyCEHJVWVDDJDBBA-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.02
Rot. Bonds5

About [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol

[1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol (PubChem CID 114809734) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol
PubChem CID114809734
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name[1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol
SMILESCC(C)(C)NS(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C9H20N2O3S/c1-8(2,3)11-15(13,14)10-6-9(7-12)4-5-9/h10-12H,4-7H2,1-3H3
InChIKeyCEHJVWVDDJDBBA-UHFFFAOYSA-N
XLogP-0.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2-methylpropan-2-amine
CID 114812942
1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol
CID 114809575
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide
CID 75431338
1-[(diethylsulfamoylamino)methyl]-1-(hydroxymethyl)cyclopentane
CID 113294525
2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
CID 106253301
1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454078

Frequently Asked Questions

What is the IUPAC name of [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol (CID 114809734) is [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol is CC(C)(C)NS(=O)(=O)NCC1(CO)CC1.
What is the InChIKey of [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol?
The InChIKey is CEHJVWVDDJDBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2,3)11-15(13,14)10-6-9(7-12)4-5-9/h10-12H,4-7H2,1-3H3.
What are the key properties of [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol?
[1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol has a molecular weight of 236.34 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 114809734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).