N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine

C12H24N2O2S — CID 120901428

IUPACN-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine
SMILESCC1(CN(CCS(C)(=O)=O)C2CC2)CCNC1
InChIInChI=1S/C12H24N2O2S/c1-12(5-6-13-9-12)10-14(11-3-4-11)7-8-17(2,15)16/h11,13H,3-10H2,1-2H3
InChIKeyHNONSMAHVAMSJF-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.50
Rot. Bonds6

About N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine

N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine (PubChem CID 120901428) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine
PubChem CID120901428
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine
SMILESCC1(CN(CCS(C)(=O)=O)C2CC2)CCNC1
InChIInChI=1S/C12H24N2O2S/c1-12(5-6-13-9-12)10-14(11-3-4-11)7-8-17(2,15)16/h11,13H,3-10H2,1-2H3
InChIKeyHNONSMAHVAMSJF-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
CID 120898547
N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine
CID 120899766
N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 120900591
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289
4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 120898331
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 79115090
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63701115
1-(3-methylpyrrolidin-3-yl)-3-methylsulfonylpropan-1-one
CID 116570102
N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
CID 120903287
methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120899081
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120902842

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine?
The IUPAC name of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine (CID 120901428) is N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine?
The canonical SMILES for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine is CC1(CN(CCS(C)(=O)=O)C2CC2)CCNC1.
What is the InChIKey of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine?
The InChIKey is HNONSMAHVAMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(5-6-13-9-12)10-14(11-3-4-11)7-8-17(2,15)16/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine?
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine has a molecular weight of 260.40 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine is sourced from PubChem (CID 120901428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).