2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide

C14H26N2O3S2 — CID 106077528

IUPAC2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
SMILESCc1sc(CNC(C)C)cc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C14H26N2O3S2/c1-10(2)15-9-13-8-14(12(5)20-13)21(17,18)16-6-7-19-11(3)4/h8,10-11,15-16H,6-7,9H2,1-5H3
InChIKeyFFEYZFUZOJESEZ-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.26
Rot. Bonds9

About 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide

2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide (PubChem CID 106077528) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
PubChem CID106077528
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC Name2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
SMILESCc1sc(CNC(C)C)cc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C14H26N2O3S2/c1-10(2)15-9-13-8-14(12(5)20-13)21(17,18)16-6-7-19-11(3)4/h8,10-11,15-16H,6-7,9H2,1-5H3
InChIKeyFFEYZFUZOJESEZ-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.26
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

2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053785
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106080646
2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780
2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106075307
5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085403
2-bromo-N-(4-methoxybutyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053935
2-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076237
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780
2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 83147747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide (CID 106077528) is 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide is Cc1sc(CNC(C)C)cc1S(=O)(=O)NCCOC(C)C.
What is the InChIKey of 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The InChIKey is FFEYZFUZOJESEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-10(2)15-9-13-8-14(12(5)20-13)21(17,18)16-6-7-19-11(3)4/h8,10-11,15-16H,6-7,9H2,1-5H3.
What are the key properties of 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106077528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).