1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride

C10H23ClN2O3S — CID 119977573

IUPAC1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)C(C)COC)C1.Cl
InChIInChI=1S/C10H22N2O3S.ClH/c1-9(8-15-3)16(13,14)12-5-4-10(7-12)6-11-2;/h9-11H,4-8H2,1-3H3;1H
InChIKeyZZQJJPGBLAOUFY-UHFFFAOYSA-N
MW286.82 g/mol
LogP0.31
Rot. Bonds6

About 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride

1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119977573) has the molecular formula C10H23ClN2O3S and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID119977573
Molecular FormulaC10H23ClN2O3S
Molecular Weight286.82 g/mol
Exact Mass286.11
IUPAC Name1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)C(C)COC)C1.Cl
InChIInChI=1S/C10H22N2O3S.ClH/c1-9(8-15-3)16(13,14)12-5-4-10(7-12)6-11-2;/h9-11H,4-8H2,1-3H3;1H
InChIKeyZZQJJPGBLAOUFY-UHFFFAOYSA-N
XLogP0.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 119961006
(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962481
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine
CID 119959530
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide;hydrochloride
CID 119978104
3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539844

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (CID 119977573) is 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(S(=O)(=O)C(C)COC)C1.Cl.
What is the InChIKey of 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is ZZQJJPGBLAOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S.ClH/c1-9(8-15-3)16(13,14)12-5-4-10(7-12)6-11-2;/h9-11H,4-8H2,1-3H3;1H.
What are the key properties of 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 286.82 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119977573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).