(2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine

C21H36N2O3S — CID 160858579

IUPAC(2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine
SMILESCC(C)S(=O)(=O)CCCCCCCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1
InChIInChI=1S/C21H36N2O3S/c1-17(2)27(24,25)13-9-7-5-6-8-10-20-11-12-21(22-14-20)23-15-18(3)26-19(4)16-23/h11-12,14,17-19H,5-10,13,15-16H2,1-4H3/t18-,19-/m1/s1
InChIKeyCDYWTLDIRIZXES-RTBURBONSA-N
MW396.60 g/mol
LogP4.01
Rot. Bonds10

About (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine

(2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine (PubChem CID 160858579) has the molecular formula C21H36N2O3S and a molecular weight of 396.60 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine
PubChem CID160858579
Molecular FormulaC21H36N2O3S
Molecular Weight396.60 g/mol
Exact Mass396.24
IUPAC Name(2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine
SMILESCC(C)S(=O)(=O)CCCCCCCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1
InChIInChI=1S/C21H36N2O3S/c1-17(2)27(24,25)13-9-7-5-6-8-10-20-11-12-21(22-14-20)23-15-18(3)26-19(4)16-23/h11-12,14,17-19H,5-10,13,15-16H2,1-4H3/t18-,19-/m1/s1
InChIKeyCDYWTLDIRIZXES-RTBURBONSA-N
XLogP4.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-6-morpholino-3-pyridinesulfonamide
CID 2738750
4-[5-[(5-Methyl-3-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 137642735
1-[4-(3,5-Dimethyl-2-pyridinyl)-2-pyridinyl]-4-(2-methoxyethylsulfonyl)piperazine
CID 68039837
N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268018
3-Methyl-1-(1-{5-[(methylthio)methyl]-2-pyridinyl}-4-piperidinyl)-1-butanol
CID 70748400
4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383582
9-Propylsulfonyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450954
4-Ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743534
4-Propylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743858
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyridin-2-amine
CID 77091096
4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-2-amine
CID 91659512
5-(methylsulfonylmethyl)-N-[2-[(3R)-oxan-3-yl]ethyl]pyridin-2-amine
CID 125440470

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine (CID 160858579) is (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine is CC(C)S(=O)(=O)CCCCCCCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine?
The InChIKey is CDYWTLDIRIZXES-RTBURBONSA-N. The full InChI is InChI=1S/C21H36N2O3S/c1-17(2)27(24,25)13-9-7-5-6-8-10-20-11-12-21(22-14-20)23-15-18(3)26-19(4)16-23/h11-12,14,17-19H,5-10,13,15-16H2,1-4H3/t18-,19-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine?
(2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine has a molecular weight of 396.60 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 160858579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).