N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide

C9H17NO3S — CID 75431338

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C9H17NO3S/c1-2-3-6-14(12,13)10-7-9(8-11)4-5-9/h2,10-11H,1,3-8H2
InChIKeyGKWISZCFWBSSSK-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.25
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide (PubChem CID 75431338) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide
PubChem CID75431338
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C9H17NO3S/c1-2-3-6-14(12,13)10-7-9(8-11)4-5-9/h2,10-11H,1,3-8H2
InChIKeyGKWISZCFWBSSSK-UHFFFAOYSA-N
XLogP0.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propane-1-sulfonamide
CID 103968261
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
CID 103966311
[1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol
CID 114809734
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid
CID 114755967
N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
CID 115456556
(1-prop-2-enylcyclopropyl)methanol
CID 534677
N-[[1-(hydroxymethyl)cyclopropyl]methyl]formamide
CID 115455292
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide
CID 131933547
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide (CID 75431338) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide?
The InChIKey is GKWISZCFWBSSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-2-3-6-14(12,13)10-7-9(8-11)4-5-9/h2,10-11H,1,3-8H2.
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide has a molecular weight of 219.31 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 75431338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).