N-(3-tert-butylsulfonylpropyl)cyclopropanamine

C10H21NO2S — CID 64645174

IUPACN-(3-tert-butylsulfonylpropyl)cyclopropanamine
SMILESCC(C)(C)S(=O)(=O)CCCNC1CC1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)14(12,13)8-4-7-11-9-5-6-9/h9,11H,4-8H2,1-3H3
InChIKeyGSIVCQNXHLQPEO-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds5

About N-(3-tert-butylsulfonylpropyl)cyclopropanamine

N-(3-tert-butylsulfonylpropyl)cyclopropanamine (PubChem CID 64645174) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3-tert-butylsulfonylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-tert-butylsulfonylpropyl)cyclopropanamine
PubChem CID64645174
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(3-tert-butylsulfonylpropyl)cyclopropanamine
SMILESCC(C)(C)S(=O)(=O)CCCNC1CC1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)14(12,13)8-4-7-11-9-5-6-9/h9,11H,4-8H2,1-3H3
InChIKeyGSIVCQNXHLQPEO-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one
CID 106736202
3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 106732258
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
CID 106735497
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
N-[3-(2-methoxyethylsulfonyl)propyl]cyclopropanamine
CID 64647289
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
CID 63658882
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106729855
N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939919

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylsulfonylpropyl)cyclopropanamine?
The IUPAC name of N-(3-tert-butylsulfonylpropyl)cyclopropanamine (CID 64645174) is N-(3-tert-butylsulfonylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3-tert-butylsulfonylpropyl)cyclopropanamine?
The canonical SMILES for N-(3-tert-butylsulfonylpropyl)cyclopropanamine is CC(C)(C)S(=O)(=O)CCCNC1CC1.
What is the InChIKey of N-(3-tert-butylsulfonylpropyl)cyclopropanamine?
The InChIKey is GSIVCQNXHLQPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)14(12,13)8-4-7-11-9-5-6-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(3-tert-butylsulfonylpropyl)cyclopropanamine?
N-(3-tert-butylsulfonylpropyl)cyclopropanamine has a molecular weight of 219.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylsulfonylpropyl)cyclopropanamine is sourced from PubChem (CID 64645174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).