[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine

C10H22N2O3S — CID 79594313

IUPAC[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)OCCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C10H22N2O3S/c1-9(2)15-5-6-16(13,14)12-4-3-10(7-11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyJLQVFZPZRAEQMJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.02
Rot. Bonds6

About [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine

[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 79594313) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID79594313
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)OCCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C10H22N2O3S/c1-9(2)15-5-6-16(13,14)12-4-3-10(7-11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyJLQVFZPZRAEQMJ-UHFFFAOYSA-N
XLogP0.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119972217
1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553283
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 79600882
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]acetic acid
CID 79594109
4-(1-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 106839507
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594491
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
2-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813767
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594489

Frequently Asked Questions

What is the IUPAC name of [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine (CID 79594313) is [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine is CC(C)OCCS(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is JLQVFZPZRAEQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2)15-5-6-16(13,14)12-4-3-10(7-11)8-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine has a molecular weight of 250.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79594313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).