5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide

C16H26N2O3S2 — CID 99594969

IUPAC5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)s1
InChIInChI=1S/C16H26N2O3S2/c1-16(2,3)14-6-7-15(22-14)23(19,20)17-10-13-11-18(8-9-21-13)12-4-5-12/h6-7,12-13,17H,4-5,8-11H2,1-3H3/t13-/m1/s1
InChIKeyJVUGUEABBGHEQT-CYBMUJFWSA-N
MW358.53 g/mol
LogP2.19
Rot. Bonds5

About 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide

5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 99594969) has the molecular formula C16H26N2O3S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID99594969
Molecular FormulaC16H26N2O3S2
Molecular Weight358.53 g/mol
Exact Mass358.14
IUPAC Name5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)s1
InChIInChI=1S/C16H26N2O3S2/c1-16(2,3)14-6-7-15(22-14)23(19,20)17-10-13-11-18(8-9-21-13)12-4-5-12/h6-7,12-13,17H,4-5,8-11H2,1-3H3/t13-/m1/s1
InChIKeyJVUGUEABBGHEQT-CYBMUJFWSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide (CID 99594969) is 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)s1.
What is the InChIKey of 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is JVUGUEABBGHEQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O3S2/c1-16(2,3)14-6-7-15(22-14)23(19,20)17-10-13-11-18(8-9-21-13)12-4-5-12/h6-7,12-13,17H,4-5,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide?
5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 358.53 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 99594969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).