4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide

C12H27N3O3S — CID 106070548

IUPAC4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCC1CN(C)CCO1
InChIInChI=1S/C12H27N3O3S/c1-3-13-6-4-5-9-19(16,17)14-10-12-11-15(2)7-8-18-12/h12-14H,3-11H2,1-2H3
InChIKeySGCRHKBLRQRSMQ-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.37
Rot. Bonds9

About 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide

4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide (PubChem CID 106070548) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
PubChem CID106070548
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCC1CN(C)CCO1
InChIInChI=1S/C12H27N3O3S/c1-3-13-6-4-5-9-19(16,17)14-10-12-11-15(2)7-8-18-12/h12-14H,3-11H2,1-2H3
InChIKeySGCRHKBLRQRSMQ-UHFFFAOYSA-N
XLogP-0.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241
3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 106085709
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
CID 110710282
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 79072139
4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
CID 106070574
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 79079333
4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide
CID 106075461

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide (CID 106070548) is 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide is CCNCCCCS(=O)(=O)NCC1CN(C)CCO1.
What is the InChIKey of 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is SGCRHKBLRQRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-3-13-6-4-5-9-19(16,17)14-10-12-11-15(2)7-8-18-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide?
4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106070548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).