2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine

C12H24N2O4S — CID 162424401

IUPAC2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CN(S(=O)(=O)C2COC2)CCO1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)13-6-10-7-14(4-5-18-10)19(15,16)11-8-17-9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyLHIKIALRQYILQV-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.20
Rot. Bonds4

About 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine

2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine (PubChem CID 162424401) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
PubChem CID162424401
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CN(S(=O)(=O)C2COC2)CCO1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)13-6-10-7-14(4-5-18-10)19(15,16)11-8-17-9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyLHIKIALRQYILQV-UHFFFAOYSA-N
XLogP-0.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
CID 164818410
2-(bromomethyl)-4-tert-butylsulfonylmorpholine
CID 81212089
(4-cyclobutylsulfonylmorpholin-2-yl)methanamine
CID 152520585
(4-cyclopentylsulfonylmorpholin-2-yl)methanol
CID 115755555
2-ethyl-4-ethylsulfonylmorpholine
CID 61356514
2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid
CID 79182699
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 115616636
(2R)-2-ethyl-4-morpholin-4-ylsulfonylmorpholine
CID 95288562
3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine
CID 79172199
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine
CID 103521773
2,3-dimethyl-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]butan-2-ol
CID 106189997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine (CID 162424401) is 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine is CC(C)(C)NCC1CN(S(=O)(=O)C2COC2)CCO1.
What is the InChIKey of 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The InChIKey is LHIKIALRQYILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,3)13-6-10-7-14(4-5-18-10)19(15,16)11-8-17-9-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine has a molecular weight of 292.40 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 162424401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).