2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine

C15H32N2O2S — CID 79045743

IUPAC2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)(C)N1CCCC1
InChIInChI=1S/C15H32N2O2S/c1-5-10-16-14(9-8-13-20(4,18)19)15(2,3)17-11-6-7-12-17/h14,16H,5-13H2,1-4H3
InChIKeyNXHZKMQNGWQUJF-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.05
Rot. Bonds9

About 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine

2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine (PubChem CID 79045743) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine.

Molecular Properties

Compound Name2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
PubChem CID79045743
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)(C)N1CCCC1
InChIInChI=1S/C15H32N2O2S/c1-5-10-16-14(9-8-13-20(4,18)19)15(2,3)17-11-6-7-12-17/h14,16H,5-13H2,1-4H3
InChIKeyNXHZKMQNGWQUJF-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-methylsulfonyl-2-pyrrolidin-1-ylhexan-3-ol
CID 79056525
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
CID 79051683
2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine
CID 63192548
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192
5-methyl-1-methylsulfonyl-5-pyrrolidin-1-ylheptan-4-amine
CID 79068795
N,2-dimethyl-2-piperidin-1-ylheptan-3-amine
CID 79045929
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine
CID 114856186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine?
The IUPAC name of 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine (CID 79045743) is 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine.
What is the SMILES notation for 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine?
The canonical SMILES for 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine is CCCNC(CCCS(C)(=O)=O)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine?
The InChIKey is NXHZKMQNGWQUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-5-10-16-14(9-8-13-20(4,18)19)15(2,3)17-11-6-7-12-17/h14,16H,5-13H2,1-4H3.
What are the key properties of 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine?
2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine has a molecular weight of 304.50 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine is sourced from PubChem (CID 79045743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).