N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine

C12H25NO2S — CID 107757568

IUPACN-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
SMILESCCC(C)CS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C12H25NO2S/c1-3-11(2)10-16(14,15)9-5-4-8-13-12-6-7-12/h11-13H,3-10H2,1-2H3
InChIKeyZPSICDZRZXTCQI-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds9

About N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine

N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine (PubChem CID 107757568) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
PubChem CID107757568
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
SMILESCCC(C)CS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C12H25NO2S/c1-3-11(2)10-16(14,15)9-5-4-8-13-12-6-7-12/h11-13H,3-10H2,1-2H3
InChIKeyZPSICDZRZXTCQI-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
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

4-(2-methylbutylsulfonyl)-N-propylbutan-1-amine
CID 107757626
N-(4-methylhexyl)cyclopropanamine
CID 62529631
3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
CID 106066791
4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide
CID 79488295
1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol
CID 107766075
N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757585
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
N-ethyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757587
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine (CID 107757568) is N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine is CCC(C)CS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine?
The InChIKey is ZPSICDZRZXTCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-11(2)10-16(14,15)9-5-4-8-13-12-6-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine?
N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine is sourced from PubChem (CID 107757568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).